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[ CAS No. 10212-25-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10212-25-6
Chemical Structure| 10212-25-6
Structure of 10212-25-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 10212-25-6 ]

CAS No. :10212-25-6 MDL No. :MFCD00012636
Formula : C9H12ClN3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :KZOWNALBTMILAP-JBMRGDGGSA-N
M.W : 261.66 Pubchem ID :25050
Synonyms :
Cyclo-CMP hydrochloride;Cyclo-C;2,2′-O-Cyclocytidine hydrochloride;NSC 145668;Cyclocytidine (hydrochloride);NSC 145668 HCl;Cyclocytidine HCl;Ancitabine hydrochloride
Chemical Name :(2R,3R,3aS,9aR)-2-(Hydroxymethyl)-6-imino-3,3a,6,9a-tetrahydro-2H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ol hydrochloride

Calculated chemistry of [ 10212-25-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.56
Num. rotatable bonds : 1
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 57.07
TPSA : 100.59 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -1.57
Log Po/w (WLOGP) : -1.15
Log Po/w (MLOGP) : -1.2
Log Po/w (SILICOS-IT) : -1.11
Consensus Log Po/w : -1.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.67
Solubility : 56.2 mg/ml ; 0.215 mol/l
Class : Very soluble
Log S (Ali) : -0.03
Solubility : 242.0 mg/ml ; 0.924 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.2
Solubility : 413.0 mg/ml ; 1.58 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.11

Safety of [ 10212-25-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 10212-25-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 10212-25-6 ]

[ 10212-25-6 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 112-77-6 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-octadec-9<i>c</i>-enoyl-2<i>t</i>-octadec-9<i>c</i>-enoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 2
  • [ 112-77-6 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-octadec-9<i>t</i>-enoyl-2<i>t</i>-octadec-9<i>t</i>-enoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 3
  • [ 112-16-3 ]
  • [ 10212-25-6 ]
  • [ 80953-25-9 ]
  • 4
  • [ 764-85-2 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-nonanoyloxy-2<i>t</i>-nonanoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 5
  • [ 38460-95-6 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-undec-10-enoyl-2<i>t</i>-undec-10-enoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 6
  • [ 59044-32-5 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-docos-13<i>c</i>-enoyl-2<i>t</i>-docos-13<i>c</i>-enoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 7
  • [ 17746-05-3 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-undecanoyloxy-2<i>t</i>-undecanoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 8
  • [ 40140-09-8 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-eicosanoyloxy-2<i>t</i>-eicosanoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 9
  • [ 21132-76-3 ]
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-3<i>c</i>-docosanoyloxy-2<i>t</i>-docosanoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 10
  • [ 108-24-7 ]
  • [ 10212-25-6 ]
  • [ 38823-19-7 ]
  • 11
  • [ 10212-25-6 ]
  • [ 108306-38-3 ]
  • (E)-Hexa-3,5-dienoic acid (2R,3R,3aS,9aR)-2-((E)-hexa-3,5-dienoyloxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-yl ester [ No CAS ]
  • 12
  • [ 10212-25-6 ]
  • (3a<i>S</i>)-2<i>t</i>-hydroxymethyl-6-imino-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,7,8,9a-hexahydro-6<i>H</i>-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-3<i>c</i>-ol [ No CAS ]
  • 13
  • [ 10212-25-6 ]
  • [ 142-61-0 ]
  • (3a<i>S</i>)-3<i>c</i>-hexanoyloxy-2<i>t</i>-hexanoyloxymethyl-(3a<i>r</i>,9a<i>c</i>)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-<i>a</i>]pyrimidin-6-ylideneamine [ No CAS ]
  • 14
  • [ 10212-25-6 ]
  • [ 112-13-0 ]
  • [ 62840-05-5 ]
  • 15
  • [ 10212-25-6 ]
  • [ 93-97-0 ]
  • [ 38823-20-0 ]
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