2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid
TL;DR: 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid (CAS 939760-38-0) is a chemical compound with molecular formula C12H12BrNO5 and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-4-(3-bromopropanoylamino)benzoic acid
Also Known As: 2-acetyloxy-4-(3-bromopropanoylamino)benzoic acid, 2-(acetyloxy)-4-[(3-bromopropanoyl)amino]benzoic acid, Benzoic acid,2-(acetyloxy)-4-[(3-bromo-1-oxopropyl)amino]-, 2-(Acetyloxy)-4-[(3-bromo-1-hydroxypropylidene)amino]benzoic acid
| Molecular Formula | C12H12BrNO5 |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.9899 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 939760-38-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)NC(=O)CCBr)C(=O)O |
| InChIKey | YTLKFTDBNWMHCY-UHFFFAOYSA-N |
Product Overview
2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid (CAS 939760-38-0), with molecular formula C12H12BrNO5 and molecular weight 328.99 g/mol. IUPAC: 2-acetyloxy-4-(3-bromopropanoylamino)benzoic acid.
Chemical Property Profile of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid
Property Insights of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid. Following Lipinski's Rule of Five, 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid has 2 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-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid?
The CAS number of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid is 939760-38-0.
What is the molecular formula of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid?
The molecular formula of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid is C12H12BrNO5.
What is the molecular weight of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid?
The molecular weight of 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid is 328.99 g/mol.
Where can I buy 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid?
You can request a quote for 2-Acetyloxy-4-(3-bromopropanoylamino)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-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyloxy-4-(3-bromopropanoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.