4-(2-Bromoanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Bromoanilino)-4-oxobut-2-enoic acid (CAS 36847-85-5) is a chemical compound with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoanilino)-4-oxobut-2-enoic acid
Also Known As: N-(2-Bromophenyl)maleamic acid, 4-(2-bromoanilino)-4-oxobut-2-enoic acid, 3-[(2-bromophenyl)carbamoyl]prop-2-enoic acid, 4-(2-bromoanilino)-4-oxo-but-2-enoic acid, (Z)-4-((2-bromophenyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C10H8BrNO3 |
|---|---|
| Molecular Weight | 268.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.96875 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 36847-85-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C=CC(=O)O)Br |
| InChIKey | CJHBOIXAXNGQNF-UHFFFAOYSA-N |
Product Overview
4-(2-Bromoanilino)-4-oxobut-2-enoic acid (CAS 36847-85-5), with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol. IUPAC: 4-(2-bromoanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromoanilino)-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Bromoanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Bromoanilino)-4-oxobut-2-enoic 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-(2-Bromoanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid is 36847-85-5.
What is the molecular formula of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid is C10H8BrNO3.
What is the molecular weight of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid is 268.97 g/mol.
Where can I buy 4-(2-Bromoanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Bromoanilino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromoanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.