![4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline structure](/static/products/250/25085-03-4.png)
4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline
TL;DR: 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline (CAS 25085-03-4) is a chemical compound with molecular formula C9H10F2N2O4S and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(difluoromethylsulfonyl)-N-ethyl-2-nitroaniline
Also Known As: 4-[(difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline, 4-(difluoromethylsulfonyl)-N-ethyl-2-nitroaniline, 4-(Difluoromethanesulfonyl)-N-ethyl-2-nitroaniline, Benzenamine,4-[(difluoromethyl)sulfonyl]-N-ethyl-2-nitro-, 9-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9h-purine dihydrochloride
| Molecular Formula | C9H10F2N2O4S |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.03293 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 25085-03-4 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)F)[N+](=O)[O-] |
| InChIKey | WYNYFIHUNKCIPH-UHFFFAOYSA-N |
Product Overview
4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline (CAS 25085-03-4), with molecular formula C9H10F2N2O4S and molecular weight 280.03 g/mol. IUPAC: 4-(difluoromethylsulfonyl)-N-ethyl-2-nitroaniline.
Chemical Property Profile of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline
Property Insights of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline. Following Lipinski's Rule of Five, 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline has 1 hydrogen bond donor(s) and 7 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-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline?
The CAS number of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline is 25085-03-4.
What is the molecular formula of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline?
The molecular formula of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline is C9H10F2N2O4S.
What is the molecular weight of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline?
The molecular weight of 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline is 280.03 g/mol.
Where can I buy 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline?
You can request a quote for 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Difluoromethyl)sulfonyl]-n-ethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.