![(2E)-2-(BENZENESULFONYL)-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/620/620108-52-3.png)
(2E)-2-(BENZENESULFONYL)-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-(BENZENESULFONYL)-3-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}PROP-2-ENENITRILE (CAS 620108-52-3) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-[2-(5-methyl-2-propan-2-ylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(BENZENESULFONYL)-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-(phenylsulfonyl)prop-2-enenitrile, (E)-2-(benzenesulfonyl)-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-(phenylsulfonyl)acrylonitrile
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 5.257 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1647.9016 |
Chemical Identifiers
| CAS Number | 620108-52-3 |
|---|---|
| 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=CC=C4 |
Product Overview
(2E)-2-(BENZENESULFONYL)-3-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}PROP-2-ENENITRILE (CAS 620108-52-3), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-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-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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 5.257 indicates that (2E)-2-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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-(BENZENESULFONYL)-3-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}PROP-2-ENENITRILE is 620108-52-3.
What is the molecular formula of (2E)-2-(BENZENESULFONYL)-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-(BENZENESULFONYL)-3-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}PROP-2-ENENITRILE is C27H23N3O4S.
What is the molecular weight of (2E)-2-(BENZENESULFONYL)-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-(BENZENESULFONYL)-3-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}PROP-2-ENENITRILE is 485.14 g/mol.
Where can I buy (2E)-2-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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-(BENZENESULFONYL)-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.