![2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile structure](/static/products/3848/384803-80-9.webp)
2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile
TL;DR: 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile (CAS 384803-80-9) is a chemical compound with molecular formula C16H15BrN4O and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: AM-807/13103123, 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile, 2-[(4-bromophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile, [(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]propanedinitrile, 2-((4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl)malononitrile
| Molecular Formula | C16H15BrN4O |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 3.21326 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0429 |
| Heavy Atoms | 22 |
| Complexity | 762.20276 |
Chemical Identifiers
| CAS Number | 384803-80-9 |
|---|---|
| SMILES | CCCC1=C(C(=O)NN1)C(C2=CC=C(C=C2)Br)C(C#N)C#N |
Product Overview
2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile (CAS 384803-80-9), with molecular formula C16H15BrN4O and molecular weight 358.04 g/mol. IUPAC: 2-[(4-bromophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile
Property Insights of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile
The XLogP value of 3.21326 indicates that 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile. Following Lipinski's Rule of Five, 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile has 2 hydrogen bond donor(s) and 3 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 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile?
The CAS number of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile is 384803-80-9.
What is the molecular formula of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile?
The molecular formula of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile is C16H15BrN4O.
What is the molecular weight of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile?
The molecular weight of 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile is 358.04 g/mol.
Where can I buy 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile?
You can request a quote for 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.