4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid (CAS 680213-38-1) is a chemical compound with molecular formula C10H7ClFNO5S and molecular weight 306.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid, 4-(2-chloro-4-fluorosulphonylanilino)-4-oxobut-2-enoic acid, 3-[(2-chloro-4-fluorosulfonyl-phenyl)carbamoyl]prop-2-enoic Acid
| Molecular Formula | C10H7ClFNO5S |
|---|---|
| Molecular Weight | 306.97 g/mol |
| LogP | 1.5775 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.97174 |
| Heavy Atoms | 19 |
| Complexity | 655.8839 |
Chemical Identifiers
| CAS Number | 680213-38-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)F)Cl)NC(=O)C=CC(=O)O |
Product Overview
4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid (CAS 680213-38-1), with molecular formula C10H7ClFNO5S and molecular weight 306.97 g/mol. IUPAC: 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.5775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 4 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-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid is 680213-38-1.
What is the molecular formula of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid is C10H7ClFNO5S.
What is the molecular weight of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid is 306.97 g/mol.
Where can I buy 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-chloro-4-fluorosulfonylanilino)-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-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloro-4-fluorosulfonylanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.