3-(Acetamidomethyl)benzoic acid
TL;DR: 3-(Acetamidomethyl)benzoic acid (CAS 777-69-5) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetamidomethyl)benzoic acid
Also Known As: 3-(acetamidomethyl)benzoic acid, 3-(acetamidomethyl)benzoicacid, 3-acetylaminomethylbenzoic acid, 3-acetylaminomethyl-benzoic acid, 3-[(acetylamino)methyl]benzoic acid
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 777-69-5 |
|---|---|
| SMILES | CC(=O)NCC1=CC(=CC=C1)C(=O)O |
| InChIKey | IMUIAYCGLVNRQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Acetamidomethyl)benzoic acid (CAS 777-69-5), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 3-(acetamidomethyl)benzoic acid.
Chemical Property Profile of 3-(Acetamidomethyl)benzoic acid
Property Insights of 3-(Acetamidomethyl)benzoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetamidomethyl)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetamidomethyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Acetamidomethyl)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 3-(Acetamidomethyl)benzoic acid?
The CAS number of 3-(Acetamidomethyl)benzoic acid is 777-69-5.
What is the molecular formula of 3-(Acetamidomethyl)benzoic acid?
The molecular formula of 3-(Acetamidomethyl)benzoic acid is C10H11NO3.
What is the molecular weight of 3-(Acetamidomethyl)benzoic acid?
The molecular weight of 3-(Acetamidomethyl)benzoic acid is 193.07 g/mol.
Where can I buy 3-(Acetamidomethyl)benzoic acid?
You can request a quote for 3-(Acetamidomethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetamidomethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetamidomethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.