![2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure](/static/products/4924/492426-65-0.webp)
2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 492426-65-0) is a chemical compound with molecular formula C28H25BrN4O2 and molecular weight 528.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-AMINO-4-[1-(4-BROMOBENZYL)-3-PHENYL-1H-PYRAZOL-4-YL]-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE
| Molecular Formula | C28H25BrN4O2 |
|---|---|
| Molecular Weight | 528.12 g/mol |
| LogP | 5.81178 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.1161 |
| Heavy Atoms | 35 |
| Complexity | 1409.384 |
Chemical Identifiers
| CAS Number | 492426-65-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)C1)C |
Product Overview
2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 492426-65-0), with molecular formula C28H25BrN4O2 and molecular weight 528.12 g/mol. IUPAC: 2-amino-4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 5.81178 indicates that 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 492426-65-0.
What is the molecular formula of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C28H25BrN4O2.
What is the molecular weight of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 528.12 g/mol.
Where can I buy 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.