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CAS 338950-81-5 Sodium Glycocholate Hydrate molecular structure lightbox
CAS RN: 338950-81-5

Sodium Glycocholate Hydrate

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 1g In stock Inquiry
Batchno.20260118 250mg In stock Inquiry
Batchno.20250924 25g In stock Inquiry
Batchno.20251213 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260619 250mg In stock Shanghai Inquiry
Batchno.20250411 25g In stock Shanghai Inquiry
Batchno.20251030 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: ICTG0207
  • Purity/Analytical Methods: >97.0%(T)(HPLC)
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338950-81-5 / sodium;2-[[(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]pentanoyl]amino]acetate;hydrate

Standard CAS: 338950-81-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
338950-81-5
Multi CAS
Yes
Molecular Formula
C26H44NNAO7
Molecular Weight
505.600000
Exact Mass
505.301547
InChI
InChI=1S/C26H43NO6.Na.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);;1H2/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1
InChIKey
YWROUPFMHKARON-HJRQWJHVSA-M

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
124.03
TPSA
161.42

LogP / Solubility

WLOGP
-2.59
MLOGP
-2.24
XLogP3
-2.59
Consensus LogP
-2.47
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-7.64

Drug-likeness / Medicinal Chemistry

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

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