5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride
TL;DR: 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride (CAS 680618-18-2) is a chemical compound with molecular formula C13H19ClN2O4S and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(butylcarbamoylamino)-2-ethoxybenzenesulfonyl chloride
Also Known As: 5-(3-butylureido)-2-ethoxybenzene-1-sulfonyl chloride, 5-(3-butylureido)-2-ethoxybenzenesulfonylchloride, 5-(3-Butyl-ureido)-2-ethoxy-benzenesulfonyl chloride, 5-(3-Butyl ureido)-2-ethoxy benzenesulfonyl chloride, 5691AH
| Molecular Formula | C13H19ClN2O4S |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 2.9344 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0754 |
| Heavy Atoms | 21 |
| Complexity | 589.8341 |
Chemical Identifiers
| CAS Number | 680618-18-2 |
|---|---|
| SMILES | CCCCNC(=O)NC1=CC(=C(C=C1)OCC)S(=O)(=O)Cl |
Product Overview
5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride (CAS 680618-18-2), with molecular formula C13H19ClN2O4S and molecular weight 334.08 g/mol. IUPAC: 5-(butylcarbamoylamino)-2-ethoxybenzenesulfonyl chloride.
Chemical Property Profile of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride
Property Insights of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride
The XLogP value of 2.9344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride 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 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride?
The CAS number of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride is 680618-18-2.
What is the molecular formula of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride?
The molecular formula of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride is C13H19ClN2O4S.
What is the molecular weight of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride?
The molecular weight of 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride is 334.08 g/mol.
Where can I buy 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride?
You can request a quote for 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl 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-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Butylureido)-2-ethoxybenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.