Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate
TL;DR: Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate (CAS 91058-98-9) is a chemical compound with molecular formula C11H7ClO4 and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-2-oxochromene-3-carboxylate
Also Known As: methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate, methyl 6-chloro-2-oxochromene-3-carboxylate, methyl 6-chloro-2-oxo-chromene-3-carboxylate, methyl6-chloro-2-oxo-2H-chromene-3-carboxylate, 6-chloro-2-oxo-2H-1-Benzopyran-3-carboxylic acid methyl ester
| Molecular Formula | C11H7ClO4 |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 2.233 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.00328 |
| Heavy Atoms | 16 |
| Complexity | 614.90094 |
Chemical Identifiers
| CAS Number | 91058-98-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=O |
Product Overview
Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate (CAS 91058-98-9), with molecular formula C11H7ClO4 and molecular weight 238.00 g/mol. IUPAC: methyl 6-chloro-2-oxochromene-3-carboxylate.
Chemical Property Profile of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate
Property Insights of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 2.233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate. With a topological polar surface area (TPSA) of 56.51 Ų, Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate has 0 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 Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate is 91058-98-9.
What is the molecular formula of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate is C11H7ClO4.
What is the molecular weight of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate is 238.00 g/mol.
Where can I buy Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chloro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.