![(2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile structure](/static/products/620/620108-53-4.png)
(2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
TL;DR: (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile (CAS 620108-53-4) is a chemical compound with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-methylphenyl)sulfonyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile, (2E)-3-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}-2-(4-METHYLBENZENESULFONYL)PROP-2-ENENITRILE, (E)-2-(4-methylphenyl)sulfonyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-3-(2-(2-isopropyl-5-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile
| Molecular Formula | C28H25N3O4S |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 5.56542 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.1566 |
| Heavy Atoms | 36 |
| Complexity | 1694.0776 |
Chemical Identifiers
| CAS Number | 620108-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)OC4=C(C=CC(=C4)C)C(C)C)/C#N |
Product Overview
(2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile (CAS 620108-53-4), with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol. IUPAC: (E)-2-(4-methylphenyl)sulfonyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
Property Insights of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
The XLogP value of 5.56542 indicates that (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}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)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}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)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile?
The CAS number of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile is 620108-53-4.
What is the molecular formula of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile?
The molecular formula of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile is C28H25N3O4S.
What is the molecular weight of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile?
The molecular weight of (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile is 499.16 g/mol.
Where can I buy (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile?
You can request a quote for (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}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)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(4-methylphenyl)sulfonyl]-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.