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[ CAS No. 5241-66-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5241-66-7
Chemical Structure| 5241-66-7
Structure of 5241-66-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 5241-66-7 ]

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Product Details of [ 5241-66-7 ]

CAS No. :5241-66-7 MDL No. :MFCD00038256
Formula : C10H19NO4S Boiling Point : -
Linear Structure Formula :- InChI Key :IMUSLIHRIYOHEV-SSDOTTSWSA-N
M.W : 249.33 Pubchem ID :111051
Synonyms :
Chemical Name :(R)-2-((tert-Butoxycarbonyl)amino)-4-(methylthio)butanoic acid

Calculated chemistry of [ 5241-66-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 8
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 64.06
TPSA : 100.93 ?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) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.05
Log Po/w (XLOGP3) : 1.56
Log Po/w (WLOGP) : 1.72
Log Po/w (MLOGP) : 1.13
Log Po/w (SILICOS-IT) : 0.82
Consensus Log Po/w : 1.46

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.84
Solubility : 3.6 mg/ml ; 0.0144 mol/l
Class : Very soluble
Log S (Ali) : -3.29
Solubility : 0.128 mg/ml ; 0.000513 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.57
Solubility : 6.76 mg/ml ; 0.0271 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.15

Safety of [ 5241-66-7 ]

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

Application In Synthesis of [ 5241-66-7 ]

* 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 [ 5241-66-7 ]

[ 5241-66-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 29022-11-5 ]
  • Fmoc-D-Lys(Boc)-D-Ser(ΨMe,MePro)-OH [ No CAS ]
  • Fmoc-D-Asp(tBu)-D-Ser(ΨMeMepro)-OH [ No CAS ]
  • Fmoc-D-Val-(Hmb)Gly-OH [ No CAS ]
  • Fmoc-D-Asp(Mpe)-OH [ No CAS ]
  • [ 92122-45-7 ]
  • [ 108-24-7 ]
  • [ 5241-66-7 ]
  • [ 35661-38-2 ]
  • [ 35661-60-0 ]
  • [ 86123-10-6 ]
  • [ 71989-14-5 ]
  • [ 104091-08-9 ]
  • [ 71989-31-6 ]
  • [ 84624-17-9 ]
  • Fmoc-D-Tyr(O-tBu)-OH [ No CAS ]
  • Nα-fmoc-N(im)-trityl-D-histidine [ No CAS ]
  • [ 166881-42-1 ]
  • (R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-N-trityl-succinamic acid [ No CAS ]
  • N-FMOC-O-tert-butyl-D-threonine [ No CAS ]
  • Fmoc-D-Gln(Trt)-OH [ No CAS ]
  • Fmoc-D-Ile-OH [ No CAS ]
  • N-α-[(9H-fluoren-9-ylmethoxy)carbonyl]-NG-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-D-arginine [ No CAS ]
  • Boc-NH-D-Met-D-Thr(tBu)-D-Glu(tBu)-D-Tyr(tBu)-D-Lys(Boc)-D-Leu-D-Val-D-Val-D-Val-(2-acetyloxy-4-methoxybenzyl)Gly-D-Ala-D-Val-Gly-D-Val-(2-acetyloxy-4-methoxybenzyl)Gly-D-Lys(Boc)-D-Ser(ΨMe,Mepro)-D-Ala-D-Leu-D-Thr(tBu)-D-Ile-D-Gln(Trt)-D-Leu-D-Ile-D-Gln(Trt)-D-Asn(Trt)-D-His(Trt)-D-Phe-D-Val-D-Asp(Mpe)-D-Glu(tBu)-D-Tyr(tBu)-D-Asp(Mpe)-D-Pro-D-Thr(tBu)-D-Ile-D-Glu(tBu)-D-Asp(t-Bu)-D-Ser(ΨMe,Mepro)-D-Tyr(tBu)-D-Arg(Pbf)-D-Lys(Boc)-D-Gln(Trt)-D-Val-D-Val-D-Ile-D-Asp(tBu)-(Dmb)Gly-D-Glu(tBu)-OH [ No CAS ]
  • 2
  • [ 5241-66-7 ]
  • [ 198904-31-3 ]
  • (5S,10S,11S,14S)-11-benzyl-5,14-di-tert-butyl-3,6,13,16-tetraoxo-8-(4-(pyridin-2-yl)benzyl)-2,17-dioxa-4,7,8,12,15-pentaazaoctadecan-10-yl (R)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate [ No CAS ]
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