![(2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE structure](/static/products/620/620104-97-4.png)
(2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
TL;DR: (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 620104-97-4) is a chemical compound with molecular formula C28H23N5O2 and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2-(4-(tert-butyl)phenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
| Molecular Formula | C28H23N5O2 |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 5.72478 |
| Topological Polar Surface Area | 96.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.18518 |
| Heavy Atoms | 35 |
| Complexity | 1646.6669 |
Chemical Identifiers
| CAS Number | 620104-97-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C4=NC5=CC=CC=C5N4 |
Product Overview
(2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 620104-97-4), with molecular formula C28H23N5O2 and molecular weight 461.19 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
Property Insights of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
The XLogP value of 5.72478 indicates that (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-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 96.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE. Following Lipinski's Rule of Five, (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE 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 (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The CAS number of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 620104-97-4.
What is the molecular formula of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The molecular formula of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is C28H23N5O2.
What is the molecular weight of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
The molecular weight of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 461.19 g/mol.
Where can I buy (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
You can request a quote for (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-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-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-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.