Vestenolide
TL;DR: Vestenolide (CAS 97108-36-6) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,6aR,9R,9aS,9bS)-4,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Also Known As: Vestenolide, J1.153.763D, (1,2,4)Triazino(6,1-a)isoquinolin-5-ium, 1,2-dihydro-1-(4-chlorophenyl)-1-hydroxy-, chloride, (3aR,3abeta,6abeta,9abeta,9balpha)-3,6-Dimethylene-4alpha,9beta-dihydroxy-9-methyldodecahydroazuleno[4,5-b]furan-2-one, (3aR,4R,6aR,9R,9aS,9bS)-4,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 97108-36-6 |
|---|---|
| SMILES | C[C@]1(CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@@H](CC2=C)O)C(=C)C(=O)O3)O |
| InChIKey | IWARJOCVOUEIMH-CSWWBCRBSA-N |
Product Overview
Vestenolide (CAS 97108-36-6), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (3aR,4R,6aR,9R,9aS,9bS)-4,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one.
Chemical Property Profile of Vestenolide
Property Insights of Vestenolide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vestenolide. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Vestenolide. Following Lipinski's Rule of Five, Vestenolide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vestenolide?
The CAS number of Vestenolide is 97108-36-6.
What is the molecular formula of Vestenolide?
The molecular formula of Vestenolide is C15H20O4.
What is the molecular weight of Vestenolide?
The molecular weight of Vestenolide is 264.14 g/mol.
Where can I buy Vestenolide?
You can request a quote for Vestenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vestenolide?
Yes, KEHONG BIO provides custom synthesis services for Vestenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.