![(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile structure](/static/products/620/620105-28-4.png)
(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
TL;DR: (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile (CAS 620105-28-4) is a chemical compound with molecular formula C23H13BrClN3O4S and molecular weight 540.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
Also Known As: (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile, (E)-3-(2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-((4-chlorophenyl)sulfonyl)acrylonitrile, (E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C23H13BrClN3O4S |
|---|---|
| Molecular Weight | 540.95 g/mol |
| LogP | 5.24108 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.9499 |
| Heavy Atoms | 33 |
| Complexity | 1590.5769 |
Chemical Identifiers
| CAS Number | 620105-28-4 |
|---|---|
| SMILES | C1=CC2=NC(=C(C(=O)N2C=C1)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)OC4=CC=C(C=C4)Br |
Product Overview
(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile (CAS 620105-28-4), with molecular formula C23H13BrClN3O4S and molecular weight 540.95 g/mol. IUPAC: (E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Property Insights of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
The XLogP value of 5.24108 indicates that (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile 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 (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile 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 (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
The CAS number of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is 620105-28-4.
What is the molecular formula of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
The molecular formula of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is C23H13BrClN3O4S.
What is the molecular weight of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
The molecular weight of (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile is 540.95 g/mol.
Where can I buy (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
You can request a quote for (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.