CAS RN: 347841-46-7
URSODEOXYCHOLIC-2,2,4,4-D4 ACID
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS347841-46-7
- Purity/Analytical Methods: >99.0%
347841-46-7 / 4-(3,7-dihydroxy-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
Basic Information
CAS
347841-46-7
Multi CAS
Yes
Molecular Formula
C24H40O4
Molecular Weight
392.600000
Exact Mass
392.292660
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey
RUDATBOHQWOJDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.96
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
108.65
TPSA
77.76
LogP / Solubility
WLOGP
4.48
MLOGP
3.96
XLogP3
4.9
Consensus LogP
4.45
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94
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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