methyl 6-chloro-2H-chromene-3-carboxylate
TL;DR: methyl 6-chloro-2H-chromene-3-carboxylate (CAS 68281-65-2) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-2H-chromene-3-carboxylate
Also Known As: methyl 6-chloro-2H-chromene-3-carboxylate, Bionet2_000028, methylchlorochromenecarboxylate, 4-methoxy-6-methyl-2-pyranone, 8071AE
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.2888 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 437.45923 |
Chemical Identifiers
| CAS Number | 68281-65-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1 |
Product Overview
methyl 6-chloro-2H-chromene-3-carboxylate (CAS 68281-65-2), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: methyl 6-chloro-2H-chromene-3-carboxylate.
Chemical Property Profile of methyl 6-chloro-2H-chromene-3-carboxylate
Property Insights of methyl 6-chloro-2H-chromene-3-carboxylate
The XLogP value of 2.2888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-chloro-2H-chromene-3-carboxylate. With a topological polar surface area (TPSA) of 35.53 Ų, methyl 6-chloro-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-chloro-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 3 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-2H-chromene-3-carboxylate?
The CAS number of methyl 6-chloro-2H-chromene-3-carboxylate is 68281-65-2.
What is the molecular formula of methyl 6-chloro-2H-chromene-3-carboxylate?
The molecular formula of methyl 6-chloro-2H-chromene-3-carboxylate is C11H9ClO3.
What is the molecular weight of methyl 6-chloro-2H-chromene-3-carboxylate?
The molecular weight of methyl 6-chloro-2H-chromene-3-carboxylate is 224.02 g/mol.
Where can I buy methyl 6-chloro-2H-chromene-3-carboxylate?
You can request a quote for methyl 6-chloro-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-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-chloro-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.