Mexoticin
TL;DR: Mexoticin (CAS 88585-86-8) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
Also Known As: Mexoticin, Isomexoticin, (+)-Mexoticin, 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one, Coumarin, 8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 88585-86-8 |
|---|---|
| SMILES | CC(C)([C@@H](CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O |
| InChIKey | JVCJUTNJQMKKCK-CYBMUJFWSA-N |
Product Overview
Mexoticin (CAS 88585-86-8), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one.
Chemical Property Profile of Mexoticin
Property Insights of Mexoticin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mexoticin. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Mexoticin. Following Lipinski's Rule of Five, Mexoticin 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 Mexoticin?
The CAS number of Mexoticin is 88585-86-8.
What is the molecular formula of Mexoticin?
The molecular formula of Mexoticin is C16H20O6.
What is the molecular weight of Mexoticin?
The molecular weight of Mexoticin is 308.13 g/mol.
Where can I buy Mexoticin?
You can request a quote for Mexoticin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mexoticin?
Yes, KEHONG BIO provides custom synthesis services for Mexoticin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.