![2-[2-(Benzylamino)-2-oxoethyl]benzoic acid structure](/static/products/3439/3439-02-9.webp)
2-[2-(Benzylamino)-2-oxoethyl]benzoic acid
TL;DR: 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid (CAS 3439-02-9) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(benzylamino)-2-oxoethyl]benzoic acid
Also Known As: o-((Benzylcarbamoyl)methyl)benzoic acid, 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid, 2-[(benzylcarbamoyl)methyl]benzoic acid, o-[(Benzylcarbamoyl)methyl]benzoic acid, J1.427.532K
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 3439-02-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CC2=CC=CC=C2C(=O)O |
| InChIKey | IQRLKKBIEXMSJX-UHFFFAOYSA-N |
Product Overview
2-[2-(Benzylamino)-2-oxoethyl]benzoic acid (CAS 3439-02-9), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 2-[2-(benzylamino)-2-oxoethyl]benzoic acid.
Chemical Property Profile of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid
Property Insights of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid. Following Lipinski's Rule of Five, 2-[2-(Benzylamino)-2-oxoethyl]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 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid?
The CAS number of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid is 3439-02-9.
What is the molecular formula of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid?
The molecular formula of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid is C16H15NO3.
What is the molecular weight of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid?
The molecular weight of 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid is 269.11 g/mol.
Where can I buy 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid?
You can request a quote for 2-[2-(Benzylamino)-2-oxoethyl]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-(Benzylamino)-2-oxoethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Benzylamino)-2-oxoethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.