CAS RN: 1067510-31-9
24-Deacetylalisol O
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.20260515 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1067510-31-9
- Purity/Analytical Methods: >99.0%
1067510-31-9 / (1S,2R,4S,6S,8R,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-9,11-dien-17-one
24-Deacetylalisol O | CHEMBL3632956 | (1S,2R,4S,6S,8R,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-9,11-dien-17-one
Basic Information
CAS
1067510-31-9
Multi CAS
Yes
Molecular Formula
C30H46O4
Molecular Weight
470.700000
Exact Mass
470.339610
SMILES
C[C@@H]1C[C@H](O[C@@H]2C1=C3C=C[C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C2)C)C)(C)C)C)[C@H](C(C)(C)O)O
InChI
InChI=1S/C30H46O4/c1-17-15-19(25(32)27(4,5)33)34-20-16-30(8)18(24(17)20)9-10-22-28(6)13-12-23(31)26(2,3)21(28)11-14-29(22,30)7/h9-10,17,19-22,25,32-33H,11-16H2,1-8H3/t17-,19+,20+,21+,22+,25-,28+,29+,30+/m1/s1
InChIKey
ZQFQEWOYCZTQFY-OZBSICFQSA-N
Synonyms
24-Deacetylalisol O
CHEMBL3632956
(1S,2R,4S,6S,8R,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-9,11-dien-17-one
11-anhydro-alisol F
24-deacetly-alisol O
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
134.09
TPSA
66.76
LogP / Solubility
WLOGP
5.62
MLOGP
4.97
XLogP3
4.5
Consensus LogP
5.03
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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![CAS 1067647-43-1 1H-INDOLE-2,4-DIONE, 3-[2,5-DIHYDRO-3-METHYL-5-OXO-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL]-3,5,6,7-TETRAHYDRO-6,6-DIMETHYL-1-PHENYL-3-(TRIFLUOROMETHYL)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1067647-43-1.gif)
