![CAS 2304-89-4 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-te tradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304-89-4.gif)
CAS RN: 2304-89-4
4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-te tradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260401 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai, Guangdong, Hebei | Inquiry |
- Product code: starshine_CAS2304-89-4
- Purity/Analytical Methods: >99.0%
2304-89-4 / (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17S)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Basic Information
CAS
2304-89-4
Multi CAS
No
Molecular Formula
C24H38O5
Molecular Weight
406.600000
Exact Mass
406.271924
SMILES
C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C
InChI
InChI=1S/C24H38O5/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/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
OEKUSRBIIZNLHZ-DJDNIQJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
109.04
TPSA
94.83
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.2
Consensus LogP
3.37
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.6
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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