AN-329/40226792
TL;DR: AN-329/40226792 (CAS 314760-82-2) is a chemical compound with molecular formula C17H12F3N5OS and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-5-phenyl-4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-2-carbothioamide
Also Known As: AN-329/40226792, 5-oxo-3-phenyl-4-{[2-(trifluoromethyl)phenyl]hydrazono}-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-5-oxo-3-phenyl-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide, (4Z)-5-oxo-3-phenyl-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide, 3-oxo-5-phenyl-4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-2-carbothioamide
| Molecular Formula | C17H12F3N5OS |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 4.3693 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.07147 |
| Heavy Atoms | 27 |
| Complexity | 1070.1632 |
Chemical Identifiers
| CAS Number | 314760-82-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)N=NC3=CC=CC=C3C(F)(F)F |
Product Overview
AN-329/40226792 (CAS 314760-82-2), with molecular formula C17H12F3N5OS and molecular weight 391.07 g/mol. IUPAC: 3-oxo-5-phenyl-4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of AN-329/40226792
Property Insights of AN-329/40226792
The XLogP value of 4.3693 indicates that AN-329/40226792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40226792. Following Lipinski's Rule of Five, AN-329/40226792 has 2 hydrogen bond donor(s) and 4 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 AN-329/40226792?
The CAS number of AN-329/40226792 is 314760-82-2.
What is the molecular formula of AN-329/40226792?
The molecular formula of AN-329/40226792 is C17H12F3N5OS.
What is the molecular weight of AN-329/40226792?
The molecular weight of AN-329/40226792 is 391.07 g/mol.
Where can I buy AN-329/40226792?
You can request a quote for AN-329/40226792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40226792?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40226792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.