4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate
TL;DR: 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate (CAS 304673-32-3) is a chemical compound with molecular formula C17H10Cl2O4 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
Also Known As: BAS 00581591, 4-methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate, 4-methyl-2-oxo-2H-chromen-7-yl 3,4-dichlorobenzoate, (4-methyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate, 3,4-Dichloro-benzoic acid 4-methyl-2-oxo-2H-chromen-7-yl ester
| Molecular Formula | C17H10Cl2O4 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.9956 |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 304673-32-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | FHMFVJSZUMOELT-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate (CAS 304673-32-3), with molecular formula C17H10Cl2O4 and molecular weight 348.00 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate.
Chemical Property Profile of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate
Property Insights of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate
The XLogP value of 4.9 indicates that 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate 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 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate?
The CAS number of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate is 304673-32-3.
What is the molecular formula of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate?
The molecular formula of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate is C17H10Cl2O4.
What is the molecular weight of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate?
The molecular weight of 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate is 348.00 g/mol.
Where can I buy 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate?
You can request a quote for 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxochromen-7-yl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.