![(E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide structure](/static/products/850/850735-75-0.png)
(E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide
TL;DR: (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide (CAS 850735-75-0) is a chemical compound with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3,5-dimethoxybenzamide
Also Known As: (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide, N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,5-dimethoxybenzamide
| Molecular Formula | C27H27N5O4 |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 3.7778 |
| Topological Polar Surface Area | 110.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.2063 |
| Heavy Atoms | 36 |
| Complexity | 1620.8378 |
Chemical Identifiers
| CAS Number | 850735-75-0 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC(=C3)OC)OC)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
(E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide (CAS 850735-75-0), with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol. IUPAC: N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3,5-dimethoxybenzamide.
Chemical Property Profile of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide
Property Insights of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide
The XLogP value of 3.7778 indicates that (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide has 0 hydrogen bond donor(s) and 6 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 (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide?
The CAS number of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide is 850735-75-0.
What is the molecular formula of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide?
The molecular formula of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide is C27H27N5O4.
What is the molecular weight of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide?
The molecular weight of (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide is 485.21 g/mol.
Where can I buy (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide?
You can request a quote for (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.