7-(Carboxymethoxy)-3-chloro-4-methylcoumarin
TL;DR: 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin (CAS 176446-74-5) is a chemical compound with molecular formula C12H9ClO5 and molecular weight 268.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
Also Known As: 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin, meso-anisyldipyrromethane, TIMTEC-BB SBB003048, 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid, 2-[(3-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid
| Molecular Formula | C12H9ClO5 |
|---|---|
| Molecular Weight | 268.01 g/mol |
| LogP | 2.21822 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.01385 |
| Heavy Atoms | 18 |
| Complexity | 673.95746 |
Chemical Identifiers
| CAS Number | 176446-74-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)O)Cl |
Product Overview
7-(Carboxymethoxy)-3-chloro-4-methylcoumarin (CAS 176446-74-5), with molecular formula C12H9ClO5 and molecular weight 268.01 g/mol. IUPAC: 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid.
Chemical Property Profile of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin
Property Insights of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin
The XLogP value of 2.21822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin. Following Lipinski's Rule of Five, 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin has 1 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 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin?
The CAS number of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin is 176446-74-5.
What is the molecular formula of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin?
The molecular formula of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin is C12H9ClO5.
What is the molecular weight of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin?
The molecular weight of 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin is 268.01 g/mol.
Where can I buy 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin?
You can request a quote for 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-(Carboxymethoxy)-3-chloro-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.