![(E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide structure](/static/products/848/848211-99-4.png)
(E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide
TL;DR: (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide (CAS 848211-99-4) is a chemical compound with molecular formula C30H33N5O5 and molecular weight 543.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3,4,5-triethoxybenzamide
Also Known As: (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide, N-[(2E)-3-cyano-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-triethoxybenzamide
| Molecular Formula | C30H33N5O5 |
|---|---|
| Molecular Weight | 543.25 g/mol |
| LogP | 4.64828 |
| Topological Polar Surface Area | 120.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 543.24817 |
| Heavy Atoms | 40 |
| Complexity | 1687.4536 |
Chemical Identifiers
| CAS Number | 848211-99-4 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
(E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide (CAS 848211-99-4), with molecular formula C30H33N5O5 and molecular weight 543.25 g/mol. IUPAC: N-(5-cyano-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3,4,5-triethoxybenzamide.
Chemical Property Profile of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide
Property Insights of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide
The XLogP value of 4.64828 indicates that (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
The CAS number of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is 848211-99-4.
What is the molecular formula of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
The molecular formula of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is C30H33N5O5.
What is the molecular weight of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
The molecular weight of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is 543.25 g/mol.
Where can I buy (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
You can request a quote for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide 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-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.