BAS 00620387
TL;DR: BAS 00620387 (CAS 329686-26-2) is a chemical compound with molecular formula C16H15N5OS and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00620387, A1812/0076609, 5-amino-3-[(Z)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-1-CYANO-2-[4-(METHYLSULFANYL)PHENYL]ETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE, 5-amino-3-{(Z)-1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H15N5OS |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.11536 |
| Topological Polar Surface Area | 111.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.09973 |
| Heavy Atoms | 23 |
| Complexity | 808.72174 |
Chemical Identifiers
| CAS Number | 329686-26-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO |
Product Overview
BAS 00620387 (CAS 329686-26-2), with molecular formula C16H15N5OS and molecular weight 325.10 g/mol. IUPAC: 5-amino-3-[(Z)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00620387
Property Insights of BAS 00620387
The XLogP value of 2.11536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00620387. The TPSA of 111.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620387. Following Lipinski's Rule of Five, BAS 00620387 has 2 hydrogen bond donor(s) and 6 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 BAS 00620387?
The CAS number of BAS 00620387 is 329686-26-2.
What is the molecular formula of BAS 00620387?
The molecular formula of BAS 00620387 is C16H15N5OS.
What is the molecular weight of BAS 00620387?
The molecular weight of BAS 00620387 is 325.10 g/mol.
Where can I buy BAS 00620387?
You can request a quote for BAS 00620387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620387?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.