4W-0852
TL;DR: 4W-0852 (CAS 955975-39-0) is a chemical compound with molecular formula C12H10F6N4O4S2 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide
Also Known As: 4W-0852, N-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinyl}-N-(methylsulfonyl)methanesulfonamide, N-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide, N-{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}-N-methanesulfonylmethanesulfonamide, N-{2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl}-N-methanesulfonylmethanesulfonamide
| Molecular Formula | C12H10F6N4O4S2 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 2.0305 |
| Topological Polar Surface Area | 102.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.00476 |
| Heavy Atoms | 28 |
| Complexity | 1073.8652 |
Chemical Identifiers
| CAS Number | 955975-39-0 |
|---|---|
| SMILES | CS(=O)(=O)N(C1=C(N=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C |
Product Overview
4W-0852 (CAS 955975-39-0), with molecular formula C12H10F6N4O4S2 and molecular weight 452.00 g/mol. IUPAC: N-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-methylsulfonylmethanesulfonamide.
Chemical Property Profile of 4W-0852
Property Insights of 4W-0852
The XLogP value of 2.0305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4W-0852. The TPSA of 102.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4W-0852. Following Lipinski's Rule of Five, 4W-0852 has 0 hydrogen bond donor(s) and 6 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 4W-0852?
The CAS number of 4W-0852 is 955975-39-0.
What is the molecular formula of 4W-0852?
The molecular formula of 4W-0852 is C12H10F6N4O4S2.
What is the molecular weight of 4W-0852?
The molecular weight of 4W-0852 is 452.00 g/mol.
Where can I buy 4W-0852?
You can request a quote for 4W-0852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4W-0852?
Yes, KEHONG BIO provides custom synthesis services for 4W-0852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.