BAS 00442738
TL;DR: BAS 00442738 (CAS 353514-46-2) is a chemical compound with molecular formula C16H15N5O2 and molecular weight 309.12 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-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00442738, 5-amino-3-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-amino-3-[1-cyano-2-(4-methoxyphenyl)vinyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile, 3-[(1Z)-1-cyano-2-(4-methoxyphenyl)vinyl]-5-amino-1-(2-hydroxyethyl)pyrazole-4 -carbonitrile, 5-AMINO-3-[(1Z)-1-CYANO-2-(4-METHOXYPHENYL)ETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE
| Molecular Formula | C16H15N5O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 1.40206 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1226 |
| Heavy Atoms | 23 |
| Complexity | 806.72174 |
Chemical Identifiers
| CAS Number | 353514-46-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO |
Product Overview
BAS 00442738 (CAS 353514-46-2), with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol. IUPAC: 5-amino-3-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00442738
Property Insights of BAS 00442738
The XLogP value of 1.40206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00442738. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442738. Following Lipinski's Rule of Five, BAS 00442738 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 00442738?
The CAS number of BAS 00442738 is 353514-46-2.
What is the molecular formula of BAS 00442738?
The molecular formula of BAS 00442738 is C16H15N5O2.
What is the molecular weight of BAS 00442738?
The molecular weight of BAS 00442738 is 309.12 g/mol.
Where can I buy BAS 00442738?
You can request a quote for BAS 00442738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442738?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.