11L-361S
TL;DR: 11L-361S (CAS 956741-27-8) is a chemical compound with molecular formula C22H18ClF3N4O and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-tert-butyl-3-(4-chlorophenyl)-4-cyanopyrazol-5-yl]-3-(trifluoromethyl)benzamide
Also Known As: 11L-361S, N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenecarboxamide, N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyanopyrazol-3-yl]-3-(trifluoromethyl)benzamide, N-[1-tert-butyl-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzamide, N-[5-(4-chlorophenyl)-4-cyano-2-tert-butyl-pyrazol-3-yl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C22H18ClF3N4O |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 6.10128 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.11212 |
| Heavy Atoms | 31 |
| Complexity | 1169.4374 |
Chemical Identifiers
| CAS Number | 956741-27-8 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
11L-361S (CAS 956741-27-8), with molecular formula C22H18ClF3N4O and molecular weight 446.11 g/mol. IUPAC: N-[1-tert-butyl-3-(4-chlorophenyl)-4-cyanopyrazol-5-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 11L-361S
Property Insights of 11L-361S
The XLogP value of 6.10128 indicates that 11L-361S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 11L-361S. Following Lipinski's Rule of Five, 11L-361S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11L-361S?
The CAS number of 11L-361S is 956741-27-8.
What is the molecular formula of 11L-361S?
The molecular formula of 11L-361S is C22H18ClF3N4O.
What is the molecular weight of 11L-361S?
The molecular weight of 11L-361S is 446.11 g/mol.
Where can I buy 11L-361S?
You can request a quote for 11L-361S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-361S?
Yes, KEHONG BIO provides custom synthesis services for 11L-361S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.