![(2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE structure](/static/products/620/620111-22-0.png)
(2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-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)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 620111-22-0) is a chemical compound with molecular formula C29H25N5O2 and molecular weight 475.20 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)-9-methyl-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)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE, (2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-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)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile
| Molecular Formula | C29H25N5O2 |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 6.0332 |
| Topological Polar Surface Area | 96.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.20084 |
| Heavy Atoms | 36 |
| Complexity | 1695.9438 |
Chemical Identifiers
| CAS Number | 620111-22-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)OC5=CC=C(C=C5)C(C)(C)C |
Product Overview
(2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE (CAS 620111-22-0), with molecular formula C29H25N5O2 and molecular weight 475.20 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-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)-9-METHYL-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)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE
The XLogP value of 6.0332 indicates that (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-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)-9-METHYL-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)-9-METHYL-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)-9-METHYL-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)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 620111-22-0.
What is the molecular formula of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-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)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is C29H25N5O2.
What is the molecular weight of (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-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)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE is 475.20 g/mol.
Where can I buy (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[2-(4-TERT-BUTYLPHENOXY)-9-METHYL-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)-9-METHYL-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)-9-METHYL-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)-9-METHYL-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.