Deoxyvernolepin
TL;DR: Deoxyvernolepin (CAS 59076-96-9) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5aR,9aR,9bS)-5a-ethenyl-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione
Also Known As: Deoxyvernolepin, (+)-8-Deoxyvernolepin, (3aS,5aR,9aR,9bS)-5a-ethenyl-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione, 5a-Ethenyl-3,9-dimethylideneoctahydro-2H-furo[2,3-f][2]benzopyran-2,8(3H)-dione, (1R,2S,6S,9R)-9-ethenyl-5,13-dimethylidene-3,11-dioxatricyclo[7.4.0.02,6]tridecane-4,12-dione
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 1.7796 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 518.2386 |
Chemical Identifiers
| CAS Number | 59076-96-9 |
|---|---|
| SMILES | C=C[C@]12CC[C@@H]3[C@@H]([C@H]1C(=C)C(=O)OC2)OC(=O)C3=C |
Product Overview
Deoxyvernolepin (CAS 59076-96-9), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: (3aS,5aR,9aR,9bS)-5a-ethenyl-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione.
Chemical Property Profile of Deoxyvernolepin
Property Insights of Deoxyvernolepin
The XLogP value of 1.7796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxyvernolepin. With a topological polar surface area (TPSA) of 52.6 Ų, Deoxyvernolepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxyvernolepin has 0 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 Deoxyvernolepin?
The CAS number of Deoxyvernolepin is 59076-96-9.
What is the molecular formula of Deoxyvernolepin?
The molecular formula of Deoxyvernolepin is C15H16O4.
What is the molecular weight of Deoxyvernolepin?
The molecular weight of Deoxyvernolepin is 260.10 g/mol.
Where can I buy Deoxyvernolepin?
You can request a quote for Deoxyvernolepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyvernolepin?
Yes, KEHONG BIO provides custom synthesis services for Deoxyvernolepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.