![(E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide structure](/static/products/848/848752-43-2.png)
(E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide
TL;DR: (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide (CAS 848752-43-2) is a chemical compound with molecular formula C28H29N5O4 and molecular weight 499.22 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-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-4-ethoxybenzamide
Also Known As: (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide, N-{(2E)-3-cyano-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}-4-ethoxybenzamide
| Molecular Formula | C28H29N5O4 |
|---|---|
| Molecular Weight | 499.22 g/mol |
| LogP | 3.7842 |
| Topological Polar Surface Area | 110.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.22195 |
| Heavy Atoms | 37 |
| Complexity | 1626.0011 |
Chemical Identifiers
| CAS Number | 848752-43-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N=C2C(=CC3=C(N2CCCOC(C)C)N=C4C(=CC=CN4C3=O)C)C#N |
Product Overview
(E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide (CAS 848752-43-2), with molecular formula C28H29N5O4 and molecular weight 499.22 g/mol. IUPAC: N-[5-cyano-11-methyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-4-ethoxybenzamide.
Chemical Property Profile of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide
Property Insights of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide
The XLogP value of 3.7842 indicates that (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide 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-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide 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-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide?
The CAS number of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide is 848752-43-2.
What is the molecular formula of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide?
The molecular formula of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide is C28H29N5O4.
What is the molecular weight of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide?
The molecular weight of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide is 499.22 g/mol.
Where can I buy (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide?
You can request a quote for (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide 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-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.