Chloromonilicin
TL;DR: Chloromonilicin (CAS 96287-38-6) is a chemical compound with molecular formula C16H11ClO7 and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b]chromene-1-carboxylate
Also Known As: Chloromonilicin, methyl 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b]chromene-1-carboxylate, (+)-5-Chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b][1]benzopyran-1-carboxylic acid methyl ester, METHYL 5-CHLORO-10-HYDROXY-8-METHYL-3,11-DIOXO-1H,3H,11H-OXEPINO[4,3-B]CHROMENE-1-CARBOXYLATE, Methyl 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-3,11-dihydro-1H-oxepino[4,3-b][1]benzopyran-1-carboxylate
| Molecular Formula | C16H11ClO7 |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 2.15762 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.01932 |
| Heavy Atoms | 24 |
| Complexity | 970.5303 |
Chemical Identifiers
| CAS Number | 96287-38-6 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C2=O)C(OC(=O)C=C3Cl)C(=O)OC)O |
Product Overview
Chloromonilicin (CAS 96287-38-6), with molecular formula C16H11ClO7 and molecular weight 350.02 g/mol. IUPAC: methyl 5-chloro-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b]chromene-1-carboxylate.
Chemical Property Profile of Chloromonilicin
Property Insights of Chloromonilicin
The XLogP value of 2.15762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromonilicin. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloromonilicin. Following Lipinski's Rule of Five, Chloromonilicin has 1 hydrogen bond donor(s) and 7 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 Chloromonilicin?
The CAS number of Chloromonilicin is 96287-38-6.
What is the molecular formula of Chloromonilicin?
The molecular formula of Chloromonilicin is C16H11ClO7.
What is the molecular weight of Chloromonilicin?
The molecular weight of Chloromonilicin is 350.02 g/mol.
Where can I buy Chloromonilicin?
You can request a quote for Chloromonilicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromonilicin?
Yes, KEHONG BIO provides custom synthesis services for Chloromonilicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.