5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride
TL;DR: 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride (CAS 680618-14-8) is a chemical compound with molecular formula C11H15ClN2O4S and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylcarbamoylamino)-2-ethoxybenzenesulfonyl chloride
Also Known As: 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride, 5-(3,3-Dimethylureido)-2-ethoxybenzene-1-sulfonyl chloride, 2-ethoxy-5-(3,3-dimethylureido) benzene-1-sulfonyl chloride, 2941AJ, 5-(3,3-dimethylureido)-2-ethoxybenzenesulfonyl chloride
| Molecular Formula | C11H15ClN2O4S |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 2.1063 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0441 |
| Heavy Atoms | 19 |
| Complexity | 572.058 |
Chemical Identifiers
| CAS Number | 680618-14-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)N(C)C)S(=O)(=O)Cl |
Product Overview
5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride (CAS 680618-14-8), with molecular formula C11H15ClN2O4S and molecular weight 306.04 g/mol. IUPAC: 5-(dimethylcarbamoylamino)-2-ethoxybenzenesulfonyl chloride.
Chemical Property Profile of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride
Property Insights of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride
The XLogP value of 2.1063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride. Following Lipinski's Rule of Five, 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride has 1 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 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride?
The CAS number of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride is 680618-14-8.
What is the molecular formula of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride?
The molecular formula of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride is C11H15ClN2O4S.
What is the molecular weight of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride?
The molecular weight of 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride is 306.04 g/mol.
Where can I buy 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride?
You can request a quote for 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3-Dimethyl-ureido)-2-ethoxy-benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.