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CAS 547-75-1 HYOCHOLIC ACID molecular structure lightbox
CAS RN: 547-75-1

HYOCHOLIC ACID

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8 package records7 with current stock2 grade groups
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Batchno.20250824 100mg In stock Inquiry
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Batchno.20251206 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
Batchno.20250529 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS547-75-1
  • Purity/Analytical Methods: >99.0%
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547-75-1 / (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid

Standard CAS: 547-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
547-75-1
Multi CAS
Yes
Molecular Formula
C24H40O5
Molecular Weight
408.600000
Exact Mass
408.287574
InChI
InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChIKey
DKPMWHFRUGMUKF-KWXDGCAGSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
110.04
TPSA
97.99

LogP / Solubility

WLOGP
3.45
MLOGP
3.06
XLogP3
3.9
Consensus LogP
3.47
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
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)
-2.76

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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