![(E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile structure](/static/products/620/620108-56-7.png)
(E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
TL;DR: (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile (CAS 620108-56-7) is a chemical compound with molecular formula C27H22BrN3O4S and molecular weight 563.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-bromophenyl)sulfonyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile, (2E)-2-[(4-bromophenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile, (E)-2-(4-bromophenyl)sulfonyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
| Molecular Formula | C27H22BrN3O4S |
|---|---|
| Molecular Weight | 563.05 g/mol |
| LogP | 6.0195 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.05145 |
| Heavy Atoms | 36 |
| Complexity | 1700.3016 |
Chemical Identifiers
| CAS Number | 620108-56-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)Br |
Product Overview
(E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile (CAS 620108-56-7), with molecular formula C27H22BrN3O4S and molecular weight 563.05 g/mol. IUPAC: (E)-2-(4-bromophenyl)sulfonyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
Property Insights of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
The XLogP value of 6.0195 indicates that (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile?
The CAS number of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile is 620108-56-7.
What is the molecular formula of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile?
The molecular formula of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile is C27H22BrN3O4S.
What is the molecular weight of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile?
The molecular weight of (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile is 563.05 g/mol.
Where can I buy (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile?
You can request a quote for (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-bromophenyl)sulfonyl)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.