N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
TL;DR: N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine (CAS 304646-59-1) is a chemical compound with molecular formula C9H11F3N2O2S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine
Also Known As: N1-Ethyl-4-trifluoromethanesulfonyl-benzene-1,2-diamine, N1-Ethyl-4-[(trifluoromethyl)sulfonyl]-1,2-benzenediamine, 1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine, N1-Ethyl-4-((trifluoromethyl)sulfonyl)benzene-1,2-diamine, N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
| Molecular Formula | C9H11F3N2O2S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.04935 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 304646-59-1 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)N |
| InChIKey | ZMFHNBBXTFOMNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine (CAS 304646-59-1), with molecular formula C9H11F3N2O2S and molecular weight 268.05 g/mol. IUPAC: 1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine.
Chemical Property Profile of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
Property Insights of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine. Following Lipinski's Rule of Five, N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine has 2 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 N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine?
The CAS number of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine is 304646-59-1.
What is the molecular formula of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine?
The molecular formula of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine is C9H11F3N2O2S.
What is the molecular weight of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine?
The molecular weight of N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine is 268.05 g/mol.
Where can I buy N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine?
You can request a quote for N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-ethyl-4-trifluoromethanesulfonylbenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.