![5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile structure](/static/products/4195/419544-69-7.webp)
5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
TL;DR: 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CAS 419544-69-7) is a chemical compound with molecular formula C16H13Br2N5O2 and molecular weight 464.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-Amino-4-cyano-alpha-[(3,5-dibromo-2-methoxyphenyl)methylene]-1-(2-hydroxyethyl)-1H-pyrazole-3-acetonitrile, 5-Amino-4-cyano-I+/--[(3,5-dibromo-2-methoxyphenyl)methylene]-1-(2-hydroxyethyl)-1H-pyrazole-3-acetonitrile
| Molecular Formula | C16H13Br2N5O2 |
|---|---|
| Molecular Weight | 464.94 g/mol |
| LogP | 2.92706 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.9436 |
| Heavy Atoms | 25 |
| Complexity | 922.07214 |
Chemical Identifiers
| CAS Number | 419544-69-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)C=C(C#N)C2=NN(C(=C2C#N)N)CCO |
Product Overview
5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CAS 419544-69-7), with molecular formula C16H13Br2N5O2 and molecular weight 464.94 g/mol. IUPAC: 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Property Insights of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
The XLogP value of 2.92706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile 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 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The CAS number of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is 419544-69-7.
What is the molecular formula of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The molecular formula of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is C16H13Br2N5O2.
What is the molecular weight of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The molecular weight of 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is 464.94 g/mol.
Where can I buy 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
You can request a quote for 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-3-[1-cyano-2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.