CAS RN: 24513-51-7
3α,21β-Dihydroxy-C(14a)-homo-27-norgammaceran-14-en-16-one
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.20260423 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS24513-51-7
- Purity/Analytical Methods: >99.0%
24513-51-7 / (1S,6R,8R,11R,12S,15S,16R,19R,21R)-8,19-dihydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
Basic Information
CAS
24513-51-7
Multi CAS
No
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC(=O)[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@H](C3(C)C)O)C
InChI
InChI=1S/C30H48O3/c1-26(2)21-10-13-28(5)17-18-16-20(31)25-27(3,4)24(33)11-14-29(25,6)19(18)8-9-22(28)30(21,7)15-12-23(26)32/h16,19,21-25,32-33H,8-15,17H2,1-7H3/t19-,21-,22-,23+,24+,25-,28-,29+,30-/m0/s1
InChIKey
VNOKAWVKCFUZGK-PLTMNBINSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
132.5
TPSA
57.53
LogP / Solubility
WLOGP
6.32
MLOGP
5.59
XLogP3
6.5
Consensus LogP
6.14
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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