4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate
TL;DR: 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate (CAS 16213-58-4) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[[(4-methylphenyl)-(4-nitrophenoxy)-oxo-λ6-sulfanylidene]amino]propanenitrile
Also Known As: 2-methyl-2-[[(4-methylphenyl)-(4-nitrophenoxy)-oxo-, 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate, 4-nitrophenyl N-(1-cyano-1-methylethyl)-4-methylbenzenesulfonimidoate
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 4.0263 |
| Topological Polar Surface Area | 105.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 935.3534 |
Chemical Identifiers
| CAS Number | 16213-58-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=NC(C)(C)C#N)(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate (CAS 16213-58-4), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: 2-methyl-2-[[(4-methylphenyl)-(4-nitrophenoxy)-oxo-λ6-sulfanylidene]amino]propanenitrile.
Chemical Property Profile of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate
Property Insights of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate
The XLogP value of 4.0263 indicates that 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate. Following Lipinski's Rule of Five, 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate has 0 hydrogen bond donor(s) and 6 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-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate?
The CAS number of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate is 16213-58-4.
What is the molecular formula of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate?
The molecular formula of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate is C17H17N3O4S.
What is the molecular weight of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate?
The molecular weight of 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate is 359.09 g/mol.
Where can I buy 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate?
You can request a quote for 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl N-(2-cyanopropan-2-yl)-4-methylbenzenesulfonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.