N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline
TL;DR: N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline (CAS 296279-61-3) is a chemical compound with molecular formula C12H13F4N3O6S and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-methylsulfonyl-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline
Also Known As: N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline, N-ethyl-4-methylsulfonyl-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline
| Molecular Formula | C12H13F4N3O6S |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 2.6332 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.0461 |
| Heavy Atoms | 26 |
| Complexity | 795.2496 |
Chemical Identifiers
| CAS Number | 296279-61-3 |
|---|---|
| SMILES | CCN(CC(C(F)F)(F)F)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline (CAS 296279-61-3), with molecular formula C12H13F4N3O6S and molecular weight 403.05 g/mol. IUPAC: N-ethyl-4-methylsulfonyl-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline.
Chemical Property Profile of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline
Property Insights of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline
The XLogP value of 2.6332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline. Following Lipinski's Rule of Five, N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline has 0 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 N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
The CAS number of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline is 296279-61-3.
What is the molecular formula of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
The molecular formula of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline is C12H13F4N3O6S.
What is the molecular weight of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
The molecular weight of N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline is 403.05 g/mol.
Where can I buy N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
You can request a quote for N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-(methylsulfonyl)-2,6-dinitro-N-(2,2,3,3-tetrafluoropropyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.