1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea
TL;DR: 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea (CAS 119271-20-4) is a chemical compound with molecular formula C13H13ClN4O3S and molecular weight 340.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea
Also Known As: ErybraedinD, 1-(benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea, 5-CHLORO-2,4-DIMETHYL-6-(([(PHENYLSULFONYL)AMINO]CARBONYL)AMINO)PYRIMI DINE, N-((5-Chloro-2,6-dimethylpyrimidin-4-yl)carbamoyl)benzenesulfonamide, Urea, N-(5-chloro-2,6-dimethyl-4-pyrimidinyl)-N'-(phenylsulfonyl)-
| Molecular Formula | C13H13ClN4O3S |
|---|---|
| Molecular Weight | 340.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0397 |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 119271-20-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C)NC(=O)NS(=O)(=O)C2=CC=CC=C2)Cl |
| InChIKey | OOLVWNRWJDFRCV-UHFFFAOYSA-N |
Product Overview
1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea (CAS 119271-20-4), with molecular formula C13H13ClN4O3S and molecular weight 340.04 g/mol. IUPAC: 1-(benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea.
Chemical Property Profile of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea
Property Insights of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea has 2 hydrogen bond donor(s) and 5 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 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea?
The CAS number of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea is 119271-20-4.
What is the molecular formula of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea?
The molecular formula of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea is C13H13ClN4O3S.
What is the molecular weight of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea?
The molecular weight of 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea is 340.04 g/mol.
Where can I buy 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea?
You can request a quote for 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-3-(5-chloro-2,6-dimethylpyrimidin-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.