CAS RN: 1961358-01-9
Lanosta-8,20(22)-dien-26-oic acid, 15-hydroxy-3,11,23-trioxo-, (15α,20Z)-
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.20250808 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1961358-01-9
- Purity/Analytical Methods: >99.0%
1961358-01-9 / (Z)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid
Basic Information
CAS
1961358-01-9
Multi CAS
No
Molecular Formula
C30H42O6
Molecular Weight
498.600000
Exact Mass
498.298139
SMILES
CC(CC(=O)/C=C(/C)\[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O
InChI
InChI=1S/C30H42O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h12,17,20,22,24,34H,8-11,13-15H2,1-7H3,(H,35,36)/b16-12-/t17?,20-,22+,24+,28+,29-,30-/m1/s1
InChIKey
GCIVDMXLMRSHLO-VITWSGEVSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
136.01
TPSA
108.74
LogP / Solubility
WLOGP
5.08
MLOGP
4.51
XLogP3
3.6
Consensus LogP
4.4
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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