2-(4-Methylphenyl)sulfonyl-1-nitroguanidine
TL;DR: 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine (CAS 5465-99-6) is a chemical compound with molecular formula C8H10N4O4S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-1-nitroguanidine
Also Known As: 2,6-Difluoroaniline, N1-tosyl-N2-nitroguanidine, N1-t-Butyl-N2-phenylpropenamidine, 1-nitro-2-(p-tolylsulfonyl)guanidine, 2-(4-METHYLPHENYL)SULFONYL-1-NITROGUANIDINE
| Molecular Formula | C8H10N4O4S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.04227 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 5465-99-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C(N)N[N+](=O)[O-] |
| InChIKey | WEMBZGRFZJFXLR-UHFFFAOYSA-N |
Product Overview
2-(4-Methylphenyl)sulfonyl-1-nitroguanidine (CAS 5465-99-6), with molecular formula C8H10N4O4S and molecular weight 258.04 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-1-nitroguanidine.
Chemical Property Profile of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine
Property Insights of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine 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 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine?
The CAS number of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine is 5465-99-6.
What is the molecular formula of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine?
The molecular formula of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine is C8H10N4O4S.
What is the molecular weight of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine?
The molecular weight of 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine is 258.04 g/mol.
Where can I buy 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine?
You can request a quote for 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)sulfonyl-1-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.