A2740/0116413
TL;DR: A2740/0116413 (CAS 352318-83-3) is a chemical compound with molecular formula C14H12F6N2OS and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,2,3,3,3-hexafluoropropylsulfanyl)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: A2740/0116413, 4-[(1,1,2,3,3,3-Hexafluoropropyl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-((1,1,2,3,3,3-hexafluoropropyl)thio)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-(1,1,2,3,3,3-hexafluoropropylsulfanyl)-1,5-dimethyl-2-phenylpyrazol-3-one, 4-(1,1,2,3,3,3-Hexafluoro-propylsulfanyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
| Molecular Formula | C14H12F6N2OS |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.05746 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 352318-83-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(C(C(F)(F)F)F)(F)F |
| InChIKey | QQSNXCCQBJRRGW-UHFFFAOYSA-N |
Product Overview
A2740/0116413 (CAS 352318-83-3), with molecular formula C14H12F6N2OS and molecular weight 370.06 g/mol. IUPAC: 4-(1,1,2,3,3,3-hexafluoropropylsulfanyl)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of A2740/0116413
Property Insights of A2740/0116413
The XLogP value of 3.6 indicates that A2740/0116413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, A2740/0116413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2740/0116413 has 0 hydrogen bond donor(s) and 9 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 A2740/0116413?
The CAS number of A2740/0116413 is 352318-83-3.
What is the molecular formula of A2740/0116413?
The molecular formula of A2740/0116413 is C14H12F6N2OS.
What is the molecular weight of A2740/0116413?
The molecular weight of A2740/0116413 is 370.06 g/mol.
Where can I buy A2740/0116413?
You can request a quote for A2740/0116413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2740/0116413?
Yes, KEHONG BIO provides custom synthesis services for A2740/0116413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.