4-(Pentanoylamino)benzoic acid
TL;DR: 4-(Pentanoylamino)benzoic acid (CAS 878431-40-4) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pentanoylamino)benzoic acid
Also Known As: 4-(pentanoylamino)benzoic acid, 4-pentanamidobenzoic acid, Benzoic acid, 4-[(1-oxopentyl)amino]-, CHEMBRDG-BB 9071392, 7-METHOXY-1-NAPHTHONITRILE
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.5135 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 370.3552 |
Chemical Identifiers
| CAS Number | 878431-40-4 |
|---|---|
| SMILES | CCCCC(=O)NC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(Pentanoylamino)benzoic acid (CAS 878431-40-4), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 4-(pentanoylamino)benzoic acid.
Chemical Property Profile of 4-(Pentanoylamino)benzoic acid
Property Insights of 4-(Pentanoylamino)benzoic acid
The XLogP value of 2.5135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pentanoylamino)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Pentanoylamino)benzoic acid. Following Lipinski's Rule of Five, 4-(Pentanoylamino)benzoic acid has 2 hydrogen bond donor(s) and 2 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 4-(Pentanoylamino)benzoic acid?
The CAS number of 4-(Pentanoylamino)benzoic acid is 878431-40-4.
What is the molecular formula of 4-(Pentanoylamino)benzoic acid?
The molecular formula of 4-(Pentanoylamino)benzoic acid is C12H15NO3.
What is the molecular weight of 4-(Pentanoylamino)benzoic acid?
The molecular weight of 4-(Pentanoylamino)benzoic acid is 221.11 g/mol.
Where can I buy 4-(Pentanoylamino)benzoic acid?
You can request a quote for 4-(Pentanoylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pentanoylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pentanoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.