![3-[(4-Carboxybutanoyl)amino]benzoic acid structure](/static/products/1479/147916-31-2.webp)
3-[(4-Carboxybutanoyl)amino]benzoic acid
TL;DR: 3-[(4-Carboxybutanoyl)amino]benzoic acid (CAS 147916-31-2) 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.
3-(4-carboxybutanoylamino)benzoic acid
Also Known As: ChemDiv2_001086, 3-(4-carboxybutanoylamino)benzoic acid, 3-[(4-carboxybutanoyl)amino]benzoic acid, 3-(4-CARBOXYBUTANAMIDO)BENZOIC ACID, BIM-0016163.P001
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.1 |
| 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 | 147916-31-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCCC(=O)O)C(=O)O |
| InChIKey | NCFQGQSIOGBLOT-UHFFFAOYSA-N |
Product Overview
3-[(4-Carboxybutanoyl)amino]benzoic acid (CAS 147916-31-2), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 3-(4-carboxybutanoylamino)benzoic acid.
Chemical Property Profile of 3-[(4-Carboxybutanoyl)amino]benzoic acid
Property Insights of 3-[(4-Carboxybutanoyl)amino]benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Carboxybutanoyl)amino]benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Carboxybutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(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 3-[(4-Carboxybutanoyl)amino]benzoic acid?
The CAS number of 3-[(4-Carboxybutanoyl)amino]benzoic acid is 147916-31-2.
What is the molecular formula of 3-[(4-Carboxybutanoyl)amino]benzoic acid?
The molecular formula of 3-[(4-Carboxybutanoyl)amino]benzoic acid is C12H13NO5.
What is the molecular weight of 3-[(4-Carboxybutanoyl)amino]benzoic acid?
The molecular weight of 3-[(4-Carboxybutanoyl)amino]benzoic acid is 251.08 g/mol.
Where can I buy 3-[(4-Carboxybutanoyl)amino]benzoic acid?
You can request a quote for 3-[(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 3-[(4-Carboxybutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Carboxybutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.