A2740/0116406
TL;DR: A2740/0116406 (CAS 439936-59-1) is a chemical compound with molecular formula C14H11ClF6N2O2S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: A2740/0116406, 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-1,5-dimethyl-2-phenylpyrazol-3-one, 4-((2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-([2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one #, 4-(2-Chloro-1,1,2-trifluoro-2-trifluoromethoxy-ethylsulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
| Molecular Formula | C14H11ClF6N2O2S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.0134 |
| Heavy Atoms | 26 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 439936-59-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(C(OC(F)(F)F)(F)Cl)(F)F |
| InChIKey | VPSMBDFPVVSFJQ-UHFFFAOYSA-N |
Product Overview
A2740/0116406 (CAS 439936-59-1), with molecular formula C14H11ClF6N2O2S and molecular weight 420.01 g/mol. IUPAC: 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of A2740/0116406
Property Insights of A2740/0116406
The XLogP value of 5.6 indicates that A2740/0116406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, A2740/0116406 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2740/0116406 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2740/0116406?
The CAS number of A2740/0116406 is 439936-59-1.
What is the molecular formula of A2740/0116406?
The molecular formula of A2740/0116406 is C14H11ClF6N2O2S.
What is the molecular weight of A2740/0116406?
The molecular weight of A2740/0116406 is 420.01 g/mol.
Where can I buy A2740/0116406?
You can request a quote for A2740/0116406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2740/0116406?
Yes, KEHONG BIO provides custom synthesis services for A2740/0116406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.