Mexicanin I
TL;DR: Mexicanin I (CAS 5945-41-5) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Also Known As: Mexicanin I, Mexicanin-I, Mexiconin I, Mexicanin, dl-Mexicanin I
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 5945-41-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2 |
| InChIKey | ZVLOPMNVFLSSAA-UEIZXJDVSA-N |
Product Overview
Mexicanin I (CAS 5945-41-5), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione.
Chemical Property Profile of Mexicanin I
Property Insights of Mexicanin I
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mexicanin I. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mexicanin I. Following Lipinski's Rule of Five, Mexicanin I has 1 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 Mexicanin I?
The CAS number of Mexicanin I is 5945-41-5.
What is the molecular formula of Mexicanin I?
The molecular formula of Mexicanin I is C15H18O4.
What is the molecular weight of Mexicanin I?
The molecular weight of Mexicanin I is 262.12 g/mol.
Where can I buy Mexicanin I?
You can request a quote for Mexicanin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mexicanin I?
Yes, KEHONG BIO provides custom synthesis services for Mexicanin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.