![5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid structure](/static/products/897/897782-61-5.png)
5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid
TL;DR: 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid (CAS 897782-61-5) is a chemical compound with molecular formula C16H13BrClNO4 and molecular weight 396.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
Also Known As: 5-bromo-2-[2-(3-chlorophenoxy)propanoylamino]benzoic Acid, 5-bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid, 5-bromo-2-(2-(3-chlorophenoxy)propanamido)benzoic acid
| Molecular Formula | C16H13BrClNO4 |
|---|---|
| Molecular Weight | 396.97 g/mol |
| LogP | 4.2067 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.97165 |
| Heavy Atoms | 23 |
| Complexity | 750.6101 |
Chemical Identifiers
| CAS Number | 897782-61-5 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)O)OC2=CC(=CC=C2)Cl |
Product Overview
5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid (CAS 897782-61-5), with molecular formula C16H13BrClNO4 and molecular weight 396.97 g/mol. IUPAC: 5-bromo-2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid
Property Insights of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid
The XLogP value of 4.2067 indicates that 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}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 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid?
The CAS number of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid is 897782-61-5.
What is the molecular formula of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid?
The molecular formula of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid is C16H13BrClNO4.
What is the molecular weight of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid?
The molecular weight of 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid is 396.97 g/mol.
Where can I buy 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid?
You can request a quote for 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]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 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-{[2-(3-chlorophenoxy)propanoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.