![2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid structure](/static/products/140/140683-70-1.png)
2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid
TL;DR: 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid (CAS 140683-70-1) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoic acid
Also Known As: 2-(N-benzylpropanediamido)benzoic acid, 2-(3-(benzylamino)-3-oxopropanamido)benzoic acid, 2-[[2-(benzylcarbamoyl)acetyl]amino]benzoic Acid, 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid, 2-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoic acid
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 140683-70-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CC(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | CWAQHECLQXJLQV-UHFFFAOYSA-N |
Product Overview
2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid (CAS 140683-70-1), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: 2-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoic acid.
Chemical Property Profile of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid
Property Insights of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid. Following Lipinski's Rule of Five, 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid has 3 hydrogen bond donor(s) and 4 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 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid?
The CAS number of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid is 140683-70-1.
What is the molecular formula of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid?
The molecular formula of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid is C17H16N2O4.
What is the molecular weight of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid?
The molecular weight of 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid is 312.11 g/mol.
Where can I buy 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid?
You can request a quote for 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[N-benzylcarbamoyl]acetylamino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.