3-(3-oxobutanoylamino)benzoic Acid
TL;DR: 3-(3-oxobutanoylamino)benzoic Acid (CAS 35354-93-9) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxobutanoylamino)benzoic acid
Also Known As: 3-(3-oxobutanoylamino)benzoic Acid, 3-acetoacetylamino-benzoic acid, 3-[(1,3-dioxobutyl)amino]Benzoic acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.3024 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 439.36563 |
Chemical Identifiers
| CAS Number | 35354-93-9 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC(=C1)C(=O)O |
Product Overview
3-(3-oxobutanoylamino)benzoic Acid (CAS 35354-93-9), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 3-(3-oxobutanoylamino)benzoic acid.
Chemical Property Profile of 3-(3-oxobutanoylamino)benzoic Acid
Property Insights of 3-(3-oxobutanoylamino)benzoic Acid
The XLogP value of 1.3024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-oxobutanoylamino)benzoic Acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-oxobutanoylamino)benzoic Acid. Following Lipinski's Rule of Five, 3-(3-oxobutanoylamino)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 3-(3-oxobutanoylamino)benzoic Acid?
The CAS number of 3-(3-oxobutanoylamino)benzoic Acid is 35354-93-9.
What is the molecular formula of 3-(3-oxobutanoylamino)benzoic Acid?
The molecular formula of 3-(3-oxobutanoylamino)benzoic Acid is C11H11NO4.
What is the molecular weight of 3-(3-oxobutanoylamino)benzoic Acid?
The molecular weight of 3-(3-oxobutanoylamino)benzoic Acid is 221.07 g/mol.
Where can I buy 3-(3-oxobutanoylamino)benzoic Acid?
You can request a quote for 3-(3-oxobutanoylamino)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-(3-oxobutanoylamino)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-oxobutanoylamino)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.