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CAS 60696-62-0 norcholic acid molecular structure lightbox
CAS RN: 60696-62-0

norcholic acid

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 25mg In stock Shanghai Inquiry
Batchno.20250620 5mg In stock Shandong Inquiry
  • Product code: starshine_CAS60696-62-0
  • Purity/Analytical Methods: >99.0%
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60696-62-0 / (3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid

Standard CAS: 60696-62-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60696-62-0
Multi CAS
Yes
Molecular Formula
C23H38O5
Molecular Weight
394.500000
Exact Mass
394.271924
InChI
InChI=1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-,13+,14-,15-,16+,17+,18-,19+,21+,22+,23-/m1/s1
InChIKey
SHUYNJFEXPRUGR-RTCCEZQESA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.96
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
105.42
TPSA
97.99

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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