AF-886/31091002
TL;DR: AF-886/31091002 (CAS 1352608-30-0) is a chemical compound with molecular formula C11H10ClN5OS and molecular weight 295.02945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: AF-886/31091002, 4-[(4-chlorophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbimidothioic acid, (4Z)-4-[2-(4-chlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, 4-(4-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
Technical Specifications
| Molecular Formula | C11H10ClN5OS |
| Molecular Weight | 295.02945 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.02945 Da |
| Heavy Atoms | 19 |
| Complexity | 456.0 |
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=C(C=C2)Cl |
| InChIKey | JXINNMZFIQSDHG-UHFFFAOYSA-N |
Chemical Property Profile of AF-886/31091002
Property Insights of AF-886/31091002
The XLogP value of 3.3 indicates that AF-886/31091002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-886/31091002. Following Lipinski's Rule of Five, AF-886/31091002 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AF-886/31091002?
The CAS number of AF-886/31091002 is 1352608-30-0.
What is the molecular formula of AF-886/31091002?
The molecular formula of AF-886/31091002 is C11H10ClN5OS.
What is the molecular weight of AF-886/31091002?
The molecular weight of AF-886/31091002 is 295.02945 g/mol.
Where can I buy AF-886/31091002?
You can request a quote for AF-886/31091002 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-886/31091002?
Yes, CoreyChem provides custom synthesis services for AF-886/31091002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.