3,5-Bis((1-oxopropyl)amino)benzoic acid
TL;DR: 3,5-Bis((1-oxopropyl)amino)benzoic acid (CAS 85287-56-5) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(propanoylamino)benzoic acid
Also Known As: 3,5-bis(propanoylamino)benzoic acid, EINECS 281-067-5, 3,5-Bis((1-oxopropyl)amino)benzoic acid, 3,5-bis(propionylamino)benzoic acid, 3,5-BIS[(1-OXOPROPYL)AMINO]BENZOIC ACID
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.0818 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 475.11472 |
Chemical Identifiers
| CAS Number | 85287-56-5 |
|---|---|
| SMILES | CCC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)CC |
Product Overview
3,5-Bis((1-oxopropyl)amino)benzoic acid (CAS 85287-56-5), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: 3,5-bis(propanoylamino)benzoic acid.
Chemical Property Profile of 3,5-Bis((1-oxopropyl)amino)benzoic acid
Property Insights of 3,5-Bis((1-oxopropyl)amino)benzoic acid
The XLogP value of 2.0818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis((1-oxopropyl)amino)benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis((1-oxopropyl)amino)benzoic acid. Following Lipinski's Rule of Five, 3,5-Bis((1-oxopropyl)amino)benzoic acid has 3 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 3,5-Bis((1-oxopropyl)amino)benzoic acid?
The CAS number of 3,5-Bis((1-oxopropyl)amino)benzoic acid is 85287-56-5.
What is the molecular formula of 3,5-Bis((1-oxopropyl)amino)benzoic acid?
The molecular formula of 3,5-Bis((1-oxopropyl)amino)benzoic acid is C13H16N2O4.
What is the molecular weight of 3,5-Bis((1-oxopropyl)amino)benzoic acid?
The molecular weight of 3,5-Bis((1-oxopropyl)amino)benzoic acid is 264.11 g/mol.
Where can I buy 3,5-Bis((1-oxopropyl)amino)benzoic acid?
You can request a quote for 3,5-Bis((1-oxopropyl)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 3,5-Bis((1-oxopropyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis((1-oxopropyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.