CAS RN: 60143-30-8
BOC-CYS(TBU)-OH
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS60143-30-8
- Purity/Analytical Methods: >99.0%
60143-30-8 / (2R)-3-tert-butylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;N-cyclohexylcyclohexanamine
Basic Information
CAS
60143-30-8
Multi CAS
Yes
Molecular Formula
C24H46N2O4S
Molecular Weight
458.700000
Exact Mass
458.317829
InChI
InChI=1S/C12H23NO4S.C12H23N/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-12(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,13,16)(H,14,15);11-13H,1-10H2/t8-;/m0./s1
InChIKey
CHFNEXOXGYAUEY-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
129.89
TPSA
87.66
LogP / Solubility
WLOGP
5.74
MLOGP
5.08
XLogP3
5.74
Consensus LogP
5.52
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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