4-Carbamoylbenzoic acid
TL;DR: 4-Carbamoylbenzoic acid (CAS 67735-53-9) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamoylbenzoic acid
Also Known As: 4-Carbamoylbenzoic acid, Terephthalic acid monoamide, Terephthalamic Acid, 4-(Aminocarbonyl)benzoic acid, Terephthalamidic acid
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 67735-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)C(=O)O |
| InChIKey | JMHSCWJIDIKGNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Carbamoylbenzoic acid (CAS 67735-53-9), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 4-carbamoylbenzoic acid.
Chemical Property Profile of 4-Carbamoylbenzoic acid
Property Insights of 4-Carbamoylbenzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamoylbenzoic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoylbenzoic acid. Following Lipinski's Rule of Five, 4-Carbamoylbenzoic acid has 2 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 4-Carbamoylbenzoic acid?
The CAS number of 4-Carbamoylbenzoic acid is 67735-53-9.
What is the molecular formula of 4-Carbamoylbenzoic acid?
The molecular formula of 4-Carbamoylbenzoic acid is C8H7NO3.
What is the molecular weight of 4-Carbamoylbenzoic acid?
The molecular weight of 4-Carbamoylbenzoic acid is 165.04 g/mol.
Where can I buy 4-Carbamoylbenzoic acid?
You can request a quote for 4-Carbamoylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbamoylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbamoylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.