A3933/0167446
TL;DR: A3933/0167446 (CAS 838894-11-4) is a chemical compound with molecular formula C12H7ClFN5OS and molecular weight 323.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chloro-4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Also Known As: A3933/0167446, 6-[4-(3-chloro-4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone, 3-[4-(3-chloro-4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one, 6-(4-(3-chloro-4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one, 6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
| Molecular Formula | C12H7ClFN5OS |
|---|---|
| Molecular Weight | 323.00 g/mol |
| LogP | 2.47269 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0044 |
| Heavy Atoms | 21 |
| Complexity | 911.3875 |
Chemical Identifiers
| CAS Number | 838894-11-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=NNC2=S)C3=NNC(=O)C=C3)Cl)F |
Product Overview
A3933/0167446 (CAS 838894-11-4), with molecular formula C12H7ClFN5OS and molecular weight 323.00 g/mol. IUPAC: 3-[4-(3-chloro-4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one.
Chemical Property Profile of A3933/0167446
Property Insights of A3933/0167446
The XLogP value of 2.47269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3933/0167446. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A3933/0167446. Following Lipinski's Rule of Five, A3933/0167446 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 A3933/0167446?
The CAS number of A3933/0167446 is 838894-11-4.
What is the molecular formula of A3933/0167446?
The molecular formula of A3933/0167446 is C12H7ClFN5OS.
What is the molecular weight of A3933/0167446?
The molecular weight of A3933/0167446 is 323.00 g/mol.
Where can I buy A3933/0167446?
You can request a quote for A3933/0167446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3933/0167446?
Yes, KEHONG BIO provides custom synthesis services for A3933/0167446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.