![(E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide structure](/static/products/116/1164528-29-3.png)
(E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide
TL;DR: (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide (CAS 1164528-29-3) is a chemical compound with molecular formula C24H19N5O5 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-1,3-benzodioxole-5-carboxamide
Also Known As: (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide, N-[(2E)-3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide, N-[3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxidanylidene-dipyrido[3,4-c:1'',2''-f]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide, N-[3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1'',2''-f]pyrimidinylidene]-1,3-benzodioxole-5-carboxamide, N-[3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxodipyrido[3,4-c:1'',2''-f]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C24H19N5O5 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.1386 |
| Heavy Atoms | 34 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 1164528-29-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC5=C(C=C4)OCO5)N3CCOC)C#N |
| InChIKey | LVIFLDFEQGMDBS-UHFFFAOYSA-N |
Product Overview
(E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide (CAS 1164528-29-3), with molecular formula C24H19N5O5 and molecular weight 457.14 g/mol. IUPAC: N-[5-cyano-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide
Property Insights of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide has 0 hydrogen bond donor(s) and 7 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-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide?
The CAS number of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide is 1164528-29-3.
What is the molecular formula of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide?
The molecular formula of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide is C24H19N5O5.
What is the molecular weight of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide?
The molecular weight of (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide is 457.14 g/mol.
Where can I buy (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide?
You can request a quote for (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide 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-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.