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[ CAS No. 132684-59-4 ] {[proInfo.proName]}

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Chemical Structure| 132684-59-4
Chemical Structure| 132684-59-4
Structure of 132684-59-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 132684-59-4 ]

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Product Details of [ 132684-59-4 ]

CAS No. :132684-59-4 MDL No. :MFCD00077046
Formula : C25H23NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :CIHPCIUGLIZADU-QHCPKHFHSA-N
M.W : 401.45 Pubchem ID :2761467
Synonyms :

Calculated chemistry of [ 132684-59-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.2
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 114.47
TPSA : 75.63 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.73
Log Po/w (XLOGP3) : 5.0
Log Po/w (WLOGP) : 4.61
Log Po/w (MLOGP) : 3.63
Log Po/w (SILICOS-IT) : 4.44
Consensus Log Po/w : 4.08

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.33
Solubility : 0.00188 mg/ml ; 0.00000469 mol/l
Class : Moderately soluble
Log S (Ali) : -6.33
Solubility : 0.000189 mg/ml ; 0.00000047 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -7.77
Solubility : 0.0000068 mg/ml ; 0.0000000169 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.01

Safety of [ 132684-59-4 ]

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 [ 132684-59-4 ]

* 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 [ 132684-59-4 ]

[ 132684-59-4 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 122889-11-6 ]
  • [ 35737-15-6 ]
  • [ 35661-38-2 ]
  • [ 132684-59-4 ]
  • Cbz-His-OH [ No CAS ]
  • [(R)-1-((R)-1-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-3-phenyl-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester [ No CAS ]
  • 2
  • [ 71989-18-9 ]
  • [ 132684-59-4 ]
  • [ 77284-32-3 ]
  • [ 135112-28-6 ]
  • [ 125238-99-5 ]
  • N-(9-fluorenylmethoxycarbonyl)-3-(β-naphthyl)-L-alanine [ No CAS ]
  • [ 1349220-85-4 ]
  • 3
  • [ 132684-59-4 ]
  • [ 125238-99-5 ]
  • [ 135673-97-1 ]
  • Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine [ No CAS ]
  • [ 1186310-46-2 ]
  • 4
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • [ 95753-56-3 ]
  • Mor-Hfe-Ser(Me)-Phe(4-NH2)-ACC [ No CAS ]
  • 5
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(p-tolyl)propanoic acid [ No CAS ]
  • Mor-Hfe-Ser(Me)-Phe(4-Me)-ACC [ No CAS ]
  • 6
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • N-[(9-fluorenyl)methoxycarbonyl]-4-chloro-L-phenylalanine [ No CAS ]
  • Mor-Hfe-Ser(Me)-Phe(4-Cl)-ACC [ No CAS ]
  • 7
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 82565-68-2 ]
  • [ 132684-59-4 ]
  • Mor-Hfe-Ser(Me)-Phe(4-I)-ACC [ No CAS ]
  • 8
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • [ 187283-25-6 ]
  • Mor-Hfe-Ser(Me)-Phe(4-Gdn)-ACC [ No CAS ]
  • 9
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • [ 136590-09-5 ]
  • Mor-Hfe-Ser(Me)-Tyr(3-NO2)-ACC [ No CAS ]
  • 10
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • Fmoc-Tyr(CH2COOH)-OH [ No CAS ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • Mor-Hfe-Ser(Me)-Tyr(CH2COOH)-ACC [ No CAS ]
  • 11
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 96402-49-2 ]
  • [ 132684-59-4 ]
  • Mor-Hfe-Ser(Me)-1-Nal-ACC [ No CAS ]
  • 12
  • [ 3235-69-6 ]
  • [ 35661-60-0 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 96402-49-2 ]
  • [ 132684-59-4 ]
  • Mor-Hfe-1-Nal-Leu-ACC [ No CAS ]
  • 13
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • N-(9-fluorenylmethoxycarbonyl)-3-(β-naphthyl)-L-alanine [ No CAS ]
  • Mor-Hfe-Ser(Me)-2-Nal-ACC [ No CAS ]
  • 14
  • [ 3235-69-6 ]
  • [ 159610-93-2 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • [ 199110-64-0 ]
  • Mor-Hfe-Ser(Me)-Bip-ACC [ No CAS ]
  • 15
  • [ 3235-69-6 ]
  • [ 35661-60-0 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • [ 198561-07-8 ]
  • Mor-Hfe-Pra-Leu-ACC [ No CAS ]
  • 16
  • [ 3235-69-6 ]
  • [ 35661-60-0 ]
  • C26H19N2O5Pol [ No CAS ]
  • [ 132684-59-4 ]
  • [ 125238-99-5 ]
  • Mor-Hfe-Dab-Leu-ACC [ No CAS ]
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