![(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide structure](/static/products/848/848730-80-3.png)
(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide
TL;DR: (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide (CAS 848730-80-3) is a chemical compound with molecular formula C29H31N5O5 and molecular weight 529.23 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-propan-2-yl-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-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide, N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-triethoxybenzamide
| Molecular Formula | C29H31N5O5 |
|---|---|
| Molecular Weight | 529.23 g/mol |
| LogP | 4.3474 |
| Topological Polar Surface Area | 120.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.23254 |
| Heavy Atoms | 39 |
| Complexity | 1717.0594 |
Chemical Identifiers
| CAS Number | 848730-80-3 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C(=CC3=C(N2C(C)C)N=C4C(=CC=CN4C3=O)C)C#N |
Product Overview
(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide (CAS 848730-80-3), with molecular formula C29H31N5O5 and molecular weight 529.23 g/mol. IUPAC: N-(5-cyano-11-methyl-2-oxo-7-propan-2-yl-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-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide
Property Insights of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide
The XLogP value of 4.3474 indicates that (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-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-1-isopropyl-10-methyl-5-oxo-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-1-isopropyl-10-methyl-5-oxo-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-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
The CAS number of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is 848730-80-3.
What is the molecular formula of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
The molecular formula of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is C29H31N5O5.
What is the molecular weight of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide?
The molecular weight of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4,5-triethoxybenzamide is 529.23 g/mol.
Where can I buy (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-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-1-isopropyl-10-methyl-5-oxo-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-1-isopropyl-10-methyl-5-oxo-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-1-isopropyl-10-methyl-5-oxo-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.