4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride
TL;DR: 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride (CAS 1392-10-5) is a chemical compound with molecular formula C9H10ClFN2O3S and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride
Also Known As: starbld0019456, 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride, 4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride, 4-{[(2-chloroethyl)carbamoyl]amino}benzenesulfonyl fluoride, Benzenesulfonylfluoride, 4-[[[(2-chloroethyl)amino]carbonyl]amino]-
| Molecular Formula | C9H10ClFN2O3S |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.00848 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 1392-10-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NCCCl)S(=O)(=O)F |
| InChIKey | DDDOGOPONKIHSD-UHFFFAOYSA-N |
Product Overview
4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride (CAS 1392-10-5), with molecular formula C9H10ClFN2O3S and molecular weight 280.01 g/mol. IUPAC: 4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride.
Chemical Property Profile of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride
Property Insights of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride 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-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride?
The CAS number of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride is 1392-10-5.
What is the molecular formula of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride?
The molecular formula of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride is C9H10ClFN2O3S.
What is the molecular weight of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride?
The molecular weight of 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride is 280.01 g/mol.
Where can I buy 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride?
You can request a quote for 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(2-Chloroethyl)ureido)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.