4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2
TL;DR: 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 (CAS 40647-70-9) is a chemical compound with molecular formula C13H11ClF3N5O4S and molecular weight 425.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline
Also Known As: 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2, 4-(2-chloro-1,1,2-trifluoro-ethyl)sulfonyl-N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]aniline, 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline
| Molecular Formula | C13H11ClF3N5O4S |
|---|---|
| Molecular Weight | 425.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.01724 |
| Heavy Atoms | 27 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 40647-70-9 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=NNC2=CC=C(C=C2)S(=O)(=O)C(C(F)Cl)(F)F |
| InChIKey | YGZPRWASEOELOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 (CAS 40647-70-9), with molecular formula C13H11ClF3N5O4S and molecular weight 425.02 g/mol. IUPAC: 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline.
Chemical Property Profile of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2
Property Insights of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2
The XLogP value of 3.2 indicates that 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2. Following Lipinski's Rule of Five, 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 has 1 hydrogen bond donor(s) and 10 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-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2?
The CAS number of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 is 40647-70-9.
What is the molecular formula of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2?
The molecular formula of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 is C13H11ClF3N5O4S.
What is the molecular weight of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2?
The molecular weight of 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 is 425.02 g/mol.
Where can I buy 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2?
You can request a quote for 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-N-[(E)-(3-methyl-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.