4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid
TL;DR: 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid (CAS 307338-69-8) is a chemical compound with molecular formula C10H9BrClNO3 and molecular weight 304.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromo-3-chloroanilino)-4-oxobutanoic acid
Also Known As: CBKinase1_000148, CBKinase1_012548, 4-(4-bromo-3-chloroanilino)-4-oxobutanoic acid, N-(4-Bromo-3-chloro-phenyl)-succinamic acid, BAS 00632347
| Molecular Formula | C10H9BrClNO3 |
|---|---|
| Molecular Weight | 304.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.94543 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 307338-69-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)Br |
| InChIKey | ZXPAXWZSSVDPDP-UHFFFAOYSA-N |
Product Overview
4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid (CAS 307338-69-8), with molecular formula C10H9BrClNO3 and molecular weight 304.95 g/mol. IUPAC: 4-(4-bromo-3-chloroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid
Property Insights of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic 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 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid?
The CAS number of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid is 307338-69-8.
What is the molecular formula of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid?
The molecular formula of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid is C10H9BrClNO3.
What is the molecular weight of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid?
The molecular weight of 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid is 304.95 g/mol.
Where can I buy 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid?
You can request a quote for 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromo-3-chloroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.