4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride
TL;DR: 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride (CAS 36627-52-8) is a chemical compound with molecular formula C10H13ClN2O3S and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylcarbamoylamino)-2-methylbenzenesulfonyl chloride
Also Known As: 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride, 4-(dimethylcarbamoylamino)-2-methylbenzenesulfonyl chloride, 4-[[(Dimethylamino)carbonyl]amino]-2-methylbenzenesulfonyl chloride, 4-(dimethylcarbamoylamino)-2-methyl-benzenesulfonyl Chloride, 4-(3,3-DIMETHYL-UREIDO)-2-METHYL-BENZENESULFONYLCHLORIDE
| Molecular Formula | C10H13ClN2O3S |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 2.01602 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.03354 |
| Heavy Atoms | 17 |
| Complexity | 540.48206 |
Chemical Identifiers
| CAS Number | 36627-52-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)N(C)C)S(=O)(=O)Cl |
Product Overview
4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride (CAS 36627-52-8), with molecular formula C10H13ClN2O3S and molecular weight 276.03 g/mol. IUPAC: 4-(dimethylcarbamoylamino)-2-methylbenzenesulfonyl chloride.
Chemical Property Profile of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride
Property Insights of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride
The XLogP value of 2.01602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride. Following Lipinski's Rule of Five, 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride has 1 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-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride?
The CAS number of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride is 36627-52-8.
What is the molecular formula of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride?
The molecular formula of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride is C10H13ClN2O3S.
What is the molecular weight of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride?
The molecular weight of 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride is 276.03 g/mol.
Where can I buy 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride?
You can request a quote for 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,3-Dimethylureido)-2-methylbenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.