A3933/0167448
TL;DR: A3933/0167448 (CAS 838902-07-1) is a chemical compound with molecular formula C13H7ClF3N5OS and molecular weight 373.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Also Known As: A3933/0167448, 6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}pyridazin-3(2H)-one, 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one, 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(6-hydroxypyridazin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 6-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one
| Molecular Formula | C13H7ClF3N5OS |
|---|---|
| Molecular Weight | 373.00 g/mol |
| LogP | 3.35239 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.0012 |
| Heavy Atoms | 24 |
| Complexity | 1002.9271 |
Chemical Identifiers
| CAS Number | 838902-07-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N2C(=NNC2=S)C3=NNC(=O)C=C3)Cl |
Product Overview
A3933/0167448 (CAS 838902-07-1), with molecular formula C13H7ClF3N5OS and molecular weight 373.00 g/mol. IUPAC: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one.
Chemical Property Profile of A3933/0167448
Property Insights of A3933/0167448
The XLogP value of 3.35239 indicates that A3933/0167448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A3933/0167448. Following Lipinski's Rule of Five, A3933/0167448 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 A3933/0167448?
The CAS number of A3933/0167448 is 838902-07-1.
What is the molecular formula of A3933/0167448?
The molecular formula of A3933/0167448 is C13H7ClF3N5OS.
What is the molecular weight of A3933/0167448?
The molecular weight of A3933/0167448 is 373.00 g/mol.
Where can I buy A3933/0167448?
You can request a quote for A3933/0167448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3933/0167448?
Yes, KEHONG BIO provides custom synthesis services for A3933/0167448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.