CAS RN: 1201918-16-2
Glycochenodeoxycholic acid-d4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250731 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1201918-16-2
- Purity/Analytical Methods: >99.0%
1201918-16-2 / 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Glycochenodeoxycholic acid-d4 | Glycochenodeoxycholic-2,2,4,4-d4 acid | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Basic Information
CAS
1201918-16-2
Multi CAS
Yes
Molecular Formula
C26H43NO5
Molecular Weight
453.600000
Exact Mass
453.339230
SMILES
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)[2H]
InChI
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/i8D2,12D2
InChIKey
GHCZAUBVMUEKKP-PKIQRPOYSA-N
Synonyms
Glycochenodeoxycholic acid-d4
Glycochenodeoxycholic-2,2,4,4-d4 acid
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
orb2280919
SCHEMBL29463857
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
121.66
TPSA
106.86
LogP / Solubility
WLOGP
3.59
MLOGP
3.19
XLogP3
4.3
Consensus LogP
3.69
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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