4-((Methylamino)carbonyl)benzoic acid
TL;DR: 4-((Methylamino)carbonyl)benzoic acid (CAS 23754-45-2) 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.
4-(methylcarbamoyl)benzoic acid
Also Known As: 4-(methylcarbamoyl)benzoic acid, 4-[(Methylamino)carbonyl]benzoic acid, 4-(Methylaminocarbonyl)benzoic acid, N-Methyl-terephthalamic acid, 4-(methylcarbamoyl)benzoicacid
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 23754-45-2 |
|---|---|
| SMILES | CNC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | ZYTCRZMJZJPYEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Methylamino)carbonyl)benzoic acid (CAS 23754-45-2), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 4-(methylcarbamoyl)benzoic acid.
Chemical Property Profile of 4-((Methylamino)carbonyl)benzoic acid
Property Insights of 4-((Methylamino)carbonyl)benzoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Methylamino)carbonyl)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Methylamino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 4-((Methylamino)carbonyl)benzoic 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-((Methylamino)carbonyl)benzoic acid?
The CAS number of 4-((Methylamino)carbonyl)benzoic acid is 23754-45-2.
What is the molecular formula of 4-((Methylamino)carbonyl)benzoic acid?
The molecular formula of 4-((Methylamino)carbonyl)benzoic acid is C9H9NO3.
What is the molecular weight of 4-((Methylamino)carbonyl)benzoic acid?
The molecular weight of 4-((Methylamino)carbonyl)benzoic acid is 179.06 g/mol.
Where can I buy 4-((Methylamino)carbonyl)benzoic acid?
You can request a quote for 4-((Methylamino)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Methylamino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((Methylamino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.