![2-[(4-Carboxybutanoyl)amino]benzoic acid structure](/static/products/7864/78648-36-9.webp)
2-[(4-Carboxybutanoyl)amino]benzoic acid
TL;DR: 2-[(4-Carboxybutanoyl)amino]benzoic acid (CAS 78648-36-9) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-carboxybutanoylamino)benzoic acid
Also Known As: 2-(4-carboxybutanoylamino)benzoic acid, 2-[(4-carboxybutanoyl)amino]benzoic acid, N-(2-Carboxyphenyl)-glutaramidsaeure, 2-[(4-carboxy-1-oxobutyl)amino]benzoic acid, 2-(4-CARBOXYBUTANAMIDO)BENZOIC ACID
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 78648-36-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCC(=O)O |
| InChIKey | KDYBAVAICHZOBX-UHFFFAOYSA-N |
Product Overview
2-[(4-Carboxybutanoyl)amino]benzoic acid (CAS 78648-36-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 2-(4-carboxybutanoylamino)benzoic acid.
Chemical Property Profile of 2-[(4-Carboxybutanoyl)amino]benzoic acid
Property Insights of 2-[(4-Carboxybutanoyl)amino]benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Carboxybutanoyl)amino]benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Carboxybutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(4-Carboxybutanoyl)amino]benzoic acid has 3 hydrogen bond donor(s) and 5 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-[(4-Carboxybutanoyl)amino]benzoic acid?
The CAS number of 2-[(4-Carboxybutanoyl)amino]benzoic acid is 78648-36-9.
What is the molecular formula of 2-[(4-Carboxybutanoyl)amino]benzoic acid?
The molecular formula of 2-[(4-Carboxybutanoyl)amino]benzoic acid is C12H13NO5.
What is the molecular weight of 2-[(4-Carboxybutanoyl)amino]benzoic acid?
The molecular weight of 2-[(4-Carboxybutanoyl)amino]benzoic acid is 251.08 g/mol.
Where can I buy 2-[(4-Carboxybutanoyl)amino]benzoic acid?
You can request a quote for 2-[(4-Carboxybutanoyl)amino]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-[(4-Carboxybutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Carboxybutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.