4W-0854
TL;DR: 4W-0854 (CAS 955962-80-8) is a chemical compound with molecular formula C18H13F6N5O3S and molecular weight 493.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
Also Known As: 4W-0854, N-{4-[({2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinyl}amino)sulfonyl]phenyl}acetamide, N-[4-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]sulfamoyl]phenyl]acetamide, N-[4-({2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}sulfamoyl)phenyl]acetamide
| Molecular Formula | C18H13F6N5O3S |
|---|---|
| Molecular Weight | 493.06 g/mol |
| LogP | 4.0641 |
| Topological Polar Surface Area | 105.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.06433 |
| Heavy Atoms | 33 |
| Complexity | 1284.1345 |
Chemical Identifiers
| CAS Number | 955962-80-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F |
Product Overview
4W-0854 (CAS 955962-80-8), with molecular formula C18H13F6N5O3S and molecular weight 493.06 g/mol. IUPAC: N-[4-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfamoyl]phenyl]acetamide.
Chemical Property Profile of 4W-0854
Property Insights of 4W-0854
The XLogP value of 4.0641 indicates that 4W-0854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4W-0854. Following Lipinski's Rule of Five, 4W-0854 has 2 hydrogen bond donor(s) and 5 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-0854?
The CAS number of 4W-0854 is 955962-80-8.
What is the molecular formula of 4W-0854?
The molecular formula of 4W-0854 is C18H13F6N5O3S.
What is the molecular weight of 4W-0854?
The molecular weight of 4W-0854 is 493.06 g/mol.
Where can I buy 4W-0854?
You can request a quote for 4W-0854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4W-0854?
Yes, KEHONG BIO provides custom synthesis services for 4W-0854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.