3-Methyl-1-(4-nitrophenyl)sulfonyl-urea
TL;DR: 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea (CAS 52435-41-3) is a chemical compound with molecular formula C8H9N3O5S and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(4-nitrophenyl)sulfonylurea
Also Known As: 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea, 1-methyl-3-(4-nitrophenyl)sulfonylurea, n-(methylcarbamoyl)-4-nitrobenzenesulfonamide, N'-Methyl-N-(4-nitrobenzene-1-sulfonyl)carbamimidic acid
| Molecular Formula | C8H9N3O5S |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0263 |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 52435-41-3 |
|---|---|
| SMILES | CNC(=O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FQFPRSDCVUYSFJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-(4-nitrophenyl)sulfonyl-urea (CAS 52435-41-3), with molecular formula C8H9N3O5S and molecular weight 259.03 g/mol. IUPAC: 1-methyl-3-(4-nitrophenyl)sulfonylurea.
Chemical Property Profile of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea
Property Insights of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea. Following Lipinski's Rule of Five, 3-Methyl-1-(4-nitrophenyl)sulfonyl-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 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea?
The CAS number of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea is 52435-41-3.
What is the molecular formula of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea?
The molecular formula of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea is C8H9N3O5S.
What is the molecular weight of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea?
The molecular weight of 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea is 259.03 g/mol.
Where can I buy 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea?
You can request a quote for 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(4-nitrophenyl)sulfonyl-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.