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CAS 24404-83-9 GLYCOLITHOCHOLIC ACID, SODIUM SALT molecular structure lightbox
CAS RN: 24404-83-9

GLYCOLITHOCHOLIC ACID, SODIUM SALT

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251026 100mg In stock Inquiry
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  • Product code: starshine_CAS24404-83-9
  • Purity/Analytical Methods: >99.0%
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24404-83-9 / sodium 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-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

Standard CAS: 24404-83-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
24404-83-9
Multi CAS
Yes
Molecular Formula
C26H42NNaO4
Molecular Weight
455.600000
Exact Mass
455.301153
InChI
InChI=1S/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19?,20-,21?,22?,25+,26-;/m1./s1
InChIKey
LQKBJAKZKFBLIB-NYTIRPLLSA-M

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
117.64
TPSA
89.46

LogP / Solubility

WLOGP
0.29
MLOGP
0.29
XLogP3
0.29
Consensus LogP
0.29
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-5.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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