![(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile structure](/static/products/796/796879-68-0.png)
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
TL;DR: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (CAS 796879-68-0) is a chemical compound with molecular formula C25H24N6O and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Also Known As: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, (2E)-3-[2-(AZEPAN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]-2-(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)PROP-2-ENENITRILE, (E)-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile, (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
| Molecular Formula | C25H24N6O |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 4.02578 |
| Topological Polar Surface Area | 79.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.20117 |
| Heavy Atoms | 32 |
| Complexity | 1430.6095 |
Chemical Identifiers
| CAS Number | 796879-68-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCCCCC5)/C#N |
Product Overview
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (CAS 796879-68-0), with molecular formula C25H24N6O and molecular weight 424.20 g/mol. IUPAC: (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Property Insights of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
The XLogP value of 4.02578 indicates that (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The CAS number of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is 796879-68-0.
What is the molecular formula of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The molecular formula of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is C25H24N6O.
What is the molecular weight of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The molecular weight of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is 424.20 g/mol.
Where can I buy (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
You can request a quote for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-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)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.