Epolactaene
TL;DR: Epolactaene (CAS 167782-17-4) is a chemical compound with molecular formula C21H27NO6 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate
Also Known As: Epolactaene, (+)-Epolactaene, Epolactaene, (+)-, SID:172125906, METHYL (2E,3E,5E,9E)-2-ETHYLIDENE-11-[(1R,5R)-4-HYDROXY-4-METHYL-2-OXO-6-OXA-3-AZABICYCLO[3.1.0]HEXAN-1-YL]-4,10-DIMETHYL-11-OXOUNDECA-3,5,9-TRIENOATE
| Molecular Formula | C21H27NO6 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 1.8797 |
| Topological Polar Surface Area | 105.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.18384 |
| Heavy Atoms | 28 |
| Complexity | 801.71344 |
Chemical Identifiers
| CAS Number | 167782-17-4 |
|---|---|
| SMILES | C/C=C(\C=C(/C)\C=C\CC/C=C(\C)/C(=O)[C@@]12[C@@H](O1)C(NC2=O)(C)O)/C(=O)OC |
Product Overview
Epolactaene (CAS 167782-17-4), with molecular formula C21H27NO6 and molecular weight 389.18 g/mol. IUPAC: methyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate.
Chemical Property Profile of Epolactaene
Property Insights of Epolactaene
The XLogP value of 1.8797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epolactaene. The TPSA of 105.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Epolactaene. Following Lipinski's Rule of Five, Epolactaene has 2 hydrogen bond donor(s) and 6 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 Epolactaene?
The CAS number of Epolactaene is 167782-17-4.
What is the molecular formula of Epolactaene?
The molecular formula of Epolactaene is C21H27NO6.
What is the molecular weight of Epolactaene?
The molecular weight of Epolactaene is 389.18 g/mol.
Where can I buy Epolactaene?
You can request a quote for Epolactaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epolactaene?
Yes, KEHONG BIO provides custom synthesis services for Epolactaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.