6-Epiangustifolin
TL;DR: 6-Epiangustifolin (CAS 369390-94-3) is a chemical compound with molecular formula C21H28O6 and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
Also Known As: 6-Epiangustifolin, 6-epi-Augustifolin, 6-epi-Angustifolin, J1.968.336B, (1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
| Molecular Formula | C21H28O6 |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.1886 |
| Heavy Atoms | 27 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 369390-94-3 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]3([C@@H]1[C@@H](OC2)OC)COC(=O)[C@]45[C@H]3[C@@H](C[C@H](C4)C(=C)C5=O)O |
| InChIKey | OCIBRRBOOBNKJY-YHDMYULQSA-N |
Product Overview
6-Epiangustifolin (CAS 369390-94-3), with molecular formula C21H28O6 and molecular weight 376.19 g/mol. IUPAC: (1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione.
Chemical Property Profile of 6-Epiangustifolin
Property Insights of 6-Epiangustifolin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Epiangustifolin. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Epiangustifolin. Following Lipinski's Rule of Five, 6-Epiangustifolin has 1 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 6-Epiangustifolin?
The CAS number of 6-Epiangustifolin is 369390-94-3.
What is the molecular formula of 6-Epiangustifolin?
The molecular formula of 6-Epiangustifolin is C21H28O6.
What is the molecular weight of 6-Epiangustifolin?
The molecular weight of 6-Epiangustifolin is 376.19 g/mol.
Where can I buy 6-Epiangustifolin?
You can request a quote for 6-Epiangustifolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Epiangustifolin?
Yes, KEHONG BIO provides custom synthesis services for 6-Epiangustifolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.