10W-0045
TL;DR: 10W-0045 (CAS 956543-97-8) is a chemical compound with molecular formula C18H14ClF3N4O5S and molecular weight 490.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-nitrobenzenesulfonamide
Also Known As: 10W-0045, 4-chloro-N-{[1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-3-nitrobenzenesulfonamide, 4-chloro-N-[[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-nitrobenzenesulfonamide, 4-chloro-N-{[1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-3-nitrobenzene-1-sulfonamide, 4-chloro-N-[[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-nitro-benzenesulfonamide
| Molecular Formula | C18H14ClF3N4O5S |
|---|---|
| Molecular Weight | 490.03 g/mol |
| LogP | 4.2713 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.03256 |
| Heavy Atoms | 32 |
| Complexity | 1263.6099 |
Chemical Identifiers
| CAS Number | 956543-97-8 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC3=CC=CC=C3 |
Product Overview
10W-0045 (CAS 956543-97-8), with molecular formula C18H14ClF3N4O5S and molecular weight 490.03 g/mol. IUPAC: 4-chloro-N-[[1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-nitrobenzenesulfonamide.
Chemical Property Profile of 10W-0045
Property Insights of 10W-0045
The XLogP value of 4.2713 indicates that 10W-0045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 10W-0045. Following Lipinski's Rule of Five, 10W-0045 has 1 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 10W-0045?
The CAS number of 10W-0045 is 956543-97-8.
What is the molecular formula of 10W-0045?
The molecular formula of 10W-0045 is C18H14ClF3N4O5S.
What is the molecular weight of 10W-0045?
The molecular weight of 10W-0045 is 490.03 g/mol.
Where can I buy 10W-0045?
You can request a quote for 10W-0045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10W-0045?
Yes, KEHONG BIO provides custom synthesis services for 10W-0045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.