Methyl 4-carbamoylbenzoate
TL;DR: Methyl 4-carbamoylbenzoate (CAS 6757-31-9) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-carbamoylbenzoate
Also Known As: methyl 4-carbamoylbenzoate, Methyl4-carbamoylbenzoate, p-carbomethoxybenzamide, p-methoxycarbonyl benzamide, 4-(methoxycarbonyl)benzamide
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 6757-31-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)N |
| InChIKey | BAXOYLCGOYSPJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-carbamoylbenzoate (CAS 6757-31-9), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: methyl 4-carbamoylbenzoate.
Chemical Property Profile of Methyl 4-carbamoylbenzoate
Property Insights of Methyl 4-carbamoylbenzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-carbamoylbenzoate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-carbamoylbenzoate. Following Lipinski's Rule of Five, Methyl 4-carbamoylbenzoate has 1 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-carbamoylbenzoate?
The CAS number of Methyl 4-carbamoylbenzoate is 6757-31-9.
What is the molecular formula of Methyl 4-carbamoylbenzoate?
The molecular formula of Methyl 4-carbamoylbenzoate is C9H9NO3.
What is the molecular weight of Methyl 4-carbamoylbenzoate?
The molecular weight of Methyl 4-carbamoylbenzoate is 179.06 g/mol.
Where can I buy Methyl 4-carbamoylbenzoate?
You can request a quote for Methyl 4-carbamoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-carbamoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-carbamoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.