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CAS 73163-53-8 SODIUM CHOLATE HYDRATE molecular structure lightbox
CAS RN: 73163-53-8

SODIUM CHOLATE HYDRATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS73163-53-8
  • Purity/Analytical Methods: >99.0%
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73163-53-8 / sodium;(4R)-4-[(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]pentanoate;hydrate

Standard CAS: 73163-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73163-53-8
Multi CAS
Yes
Molecular Formula
C24H41NAO6
Molecular Weight
448.600000
Exact Mass
448.280083
InChI
InChI=1S/C24H40O5.Na.H2O/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);;1H2/q;+1;/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1
InChIKey
MUVVIYFKOVLQHL-RCVKHMDESA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.96
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
111.02
TPSA
132.32

LogP / Solubility

WLOGP
-1.71
MLOGP
-1.47
XLogP3
-1.71
Consensus LogP
-1.63
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.67

Drug-likeness / Medicinal Chemistry

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

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