BAS 00442609
TL;DR: BAS 00442609 (CAS 1066553-74-9) is a chemical compound with molecular formula C15H12ClN5O and molecular weight 313.07303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-3-[(Z)-2-(2-chlorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00442609, 5-amino-3-[(Z)-2-(2-chlorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-amino-3-[2-(2-chlorophenyl)-1-cyanovinyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-2-(2-CHLOROPHENYL)-1-CYANOETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE, 5-amino-3-[(Z)-2-(2-chlorophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C15H12ClN5O |
| Molecular Weight | 313.07303 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07303 Da |
| Heavy Atoms | 22 |
| Complexity | 519.0 |
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)Cl |
| InChIKey | VHRFZDZBRVUVSV-YRNVUSSQSA-N |
Chemical Property Profile of BAS 00442609
Property Insights of BAS 00442609
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00442609. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442609. Following Lipinski's Rule of Five, BAS 00442609 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 BAS 00442609?
The CAS number of BAS 00442609 is 1066553-74-9.
What is the molecular formula of BAS 00442609?
The molecular formula of BAS 00442609 is C15H12ClN5O.
What is the molecular weight of BAS 00442609?
The molecular weight of BAS 00442609 is 313.07303 g/mol.
Where can I buy BAS 00442609?
You can request a quote for BAS 00442609 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00442609?
Yes, CoreyChem provides custom synthesis services for BAS 00442609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.