![3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride structure](/static/products/2141/21412-34-0.webp)
3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
TL;DR: 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride (CAS 21412-34-0) is a chemical compound with molecular formula C16H13FN2O5S and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
Also Known As: 3-methyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzene, 3-methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
| Molecular Formula | C16H13FN2O5S |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.05292 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 21412-34-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)F)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KUOBIMIJSOAKSX-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride (CAS 21412-34-0), with molecular formula C16H13FN2O5S and molecular weight 364.05 g/mol. IUPAC: 3-methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
Property Insights of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
The XLogP value of 3.2 indicates that 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride. Following Lipinski's Rule of Five, 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride has 1 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 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride?
The CAS number of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride is 21412-34-0.
What is the molecular formula of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride?
The molecular formula of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride is C16H13FN2O5S.
What is the molecular weight of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride?
The molecular weight of 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride is 364.05 g/mol.
Where can I buy 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride?
You can request a quote for 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-[3-(4-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.