Mexicanin E
TL;DR: Mexicanin E (CAS 5945-40-4) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione
Also Known As: Mexicanin E, Mexicanine E, Mexianin E, MEXICANIN-E, (3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 5945-40-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H](C[C@@H]3[C@H]1C=CC3=O)C(=C)C(=O)O2 |
| InChIKey | GQOWVFHMXITOCQ-QWRHMFJTSA-N |
Product Overview
Mexicanin E (CAS 5945-40-4), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: (3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione.
Chemical Property Profile of Mexicanin E
Property Insights of Mexicanin E
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mexicanin E. With a topological polar surface area (TPSA) of 43.4 Ų, Mexicanin E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mexicanin E has 0 hydrogen bond donor(s) and 3 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 Mexicanin E?
The CAS number of Mexicanin E is 5945-40-4.
What is the molecular formula of Mexicanin E?
The molecular formula of Mexicanin E is C14H16O3.
What is the molecular weight of Mexicanin E?
The molecular weight of Mexicanin E is 232.11 g/mol.
Where can I buy Mexicanin E?
You can request a quote for Mexicanin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mexicanin E?
Yes, KEHONG BIO provides custom synthesis services for Mexicanin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.