4-(N-甲基甲酰氨基)苯甲酸
TL;DR: 4-(N-甲基甲酰氨基)苯甲酸 (CAS 51865-84-0) 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-(N-甲基甲酰氨基)苯甲酸
4-[formyl(methyl)amino]benzoic acid
Also Known As: 4-(N-Methylformamido)benzoic acid, N-Formyl-4-(methylamino)benzoic acid, 4-[formyl(methyl)amino]benzoic acid, 4-(N-Formylmethylamino)benzoic acid, 1-(3,5-Dihydroxyphenyl)-ethanone
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 51865-84-0 |
|---|---|
| SMILES | CN(C=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | WEMYEQBKRODOGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(N-甲基甲酰氨基)苯甲酸 (CAS 51865-84-0), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 4-[formyl(methyl)amino]benzoic acid.
Chemical Property Profile of 4-(N-甲基甲酰氨基)苯甲酸
Property Insights of 4-(N-甲基甲酰氨基)苯甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-甲基甲酰氨基)苯甲酸. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(N-甲基甲酰氨基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(N-甲基甲酰氨基)苯甲酸 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 4-(N-甲基甲酰氨基)苯甲酸?
The CAS number of 4-(N-甲基甲酰氨基)苯甲酸 is 51865-84-0.
What is the molecular formula of 4-(N-甲基甲酰氨基)苯甲酸?
The molecular formula of 4-(N-甲基甲酰氨基)苯甲酸 is C9H9NO3.
What is the molecular weight of 4-(N-甲基甲酰氨基)苯甲酸?
The molecular weight of 4-(N-甲基甲酰氨基)苯甲酸 is 179.06 g/mol.
Where can I buy 4-(N-甲基甲酰氨基)苯甲酸?
You can request a quote for 4-(N-甲基甲酰氨基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-甲基甲酰氨基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-甲基甲酰氨基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.