CAS RN: 1694587-15-9
3β,7β,15β-trihydroxy-11-oxo-lanosta-8-en-24→20 lactone
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.20260502 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1694587-15-9
- Purity/Analytical Methods: >99.0%
1694587-15-9 / 5-methyl-5-[(3S,5R,7S,10S,13R,14R,15R,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
Basic Information
CAS
1694587-15-9
Multi CAS
No
Molecular Formula
C27H40O6
Molecular Weight
460.600000
Exact Mass
460.282489
SMILES
C[C@]12CC[C@@H](C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3([C@@H](C[C@@H]4C5(CCC(=O)O5)C)O)C)C)O)(C)C)O
InChI
InChI=1S/C27H40O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-19,28,30-31H,7-13H2,1-6H3/t14-,16-,17-,18-,19+,24-,25+,26?,27-/m0/s1
InChIKey
SRCUJKNQZOLYMY-XATYPXSPSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
121.95
TPSA
104.06
LogP / Solubility
WLOGP
3.31
MLOGP
2.95
XLogP3
2.3
Consensus LogP
2.85
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18
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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