Alternariol monomethyl ether
TL;DR: Alternariol monomethyl ether (CAS 1246819-55-5) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
Also Known As: Alternariol monomethyl ether, Djalonensone, Alternariol-9-methyl ether, Alternariol monomethylether, Alternariol methyl ether
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.67442 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 892.2743 |
Chemical Identifiers
| CAS Number | 1246819-55-5 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O |
Product Overview
Alternariol monomethyl ether (CAS 1246819-55-5), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: 3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one.
Chemical Property Profile of Alternariol monomethyl ether
Property Insights of Alternariol monomethyl ether
The XLogP value of 2.67442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alternariol monomethyl ether. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Alternariol monomethyl ether. Following Lipinski's Rule of Five, Alternariol monomethyl ether has 2 hydrogen bond donor(s) and 5 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 Alternariol monomethyl ether?
The CAS number of Alternariol monomethyl ether is 1246819-55-5.
What is the molecular formula of Alternariol monomethyl ether?
The molecular formula of Alternariol monomethyl ether is C15H12O5.
What is the molecular weight of Alternariol monomethyl ether?
The molecular weight of Alternariol monomethyl ether is 272.07 g/mol.
Where can I buy Alternariol monomethyl ether?
You can request a quote for Alternariol monomethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alternariol monomethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Alternariol monomethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.