Methyl 4-(chlorocarbonyl)benzoate
TL;DR: Methyl 4-(chlorocarbonyl)benzoate (CAS 7377-26-6) is a chemical compound with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-carbonochloridoylbenzoate
Also Known As: Methyl 4-(chlorocarbonyl)benzoate, Methyl 4-chlorocarbonylbenzoate, Methyl 4-(chloroformyl)benzoate, Mmt-Cl, Methyl terephthaloyl chloride
| Molecular Formula | C9H7ClO3 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.00838 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 7377-26-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)Cl |
| InChIKey | CVXXHXPNTZBZEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(chlorocarbonyl)benzoate (CAS 7377-26-6), with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol. IUPAC: methyl 4-carbonochloridoylbenzoate.
Chemical Property Profile of Methyl 4-(chlorocarbonyl)benzoate
Property Insights of Methyl 4-(chlorocarbonyl)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(chlorocarbonyl)benzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-(chlorocarbonyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(chlorocarbonyl)benzoate 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 4-(chlorocarbonyl)benzoate?
The CAS number of Methyl 4-(chlorocarbonyl)benzoate is 7377-26-6.
What is the molecular formula of Methyl 4-(chlorocarbonyl)benzoate?
The molecular formula of Methyl 4-(chlorocarbonyl)benzoate is C9H7ClO3.
What is the molecular weight of Methyl 4-(chlorocarbonyl)benzoate?
The molecular weight of Methyl 4-(chlorocarbonyl)benzoate is 198.01 g/mol.
Where can I buy Methyl 4-(chlorocarbonyl)benzoate?
You can request a quote for Methyl 4-(chlorocarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(chlorocarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(chlorocarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.