CAS RN: 1427189-02-3
Lanosta-8,16-dien-26-oic acid, 7-hydroxy-3,11,15,23-tetraoxo-, (7β)-
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.20250227 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1427189-02-3
- Purity/Analytical Methods: >99.0%
1427189-02-3 / (6R)-6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12-hexahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Basic Information
CAS
1427189-02-3
Multi CAS
No
Molecular Formula
C30H40O7
Molecular Weight
512.600000
Exact Mass
512.277404
SMILES
C[C@H](CC(=O)CC(C)C(=O)O)C1=CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C
InChI
InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1
InChIKey
YBFMHFRKIFVPJA-LRGPFVJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
136.4
TPSA
125.81
LogP / Solubility
WLOGP
4.26
MLOGP
3.79
XLogP3
1.5
Consensus LogP
3.18
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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