![1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide structure](/static/products/893/893700-39-5.png)
1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
TL;DR: 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide (CAS 893700-39-5) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide, 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C22H18N4O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 2.14098 |
| Topological Polar Surface Area | 98.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1328 |
| Heavy Atoms | 30 |
| Complexity | 1429.7762 |
Chemical Identifiers
| CAS Number | 893700-39-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3)OC |
Product Overview
1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide (CAS 893700-39-5), with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
Property Insights of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
The XLogP value of 2.14098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide. The TPSA of 98.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide 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 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
The CAS number of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide is 893700-39-5.
What is the molecular formula of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
The molecular formula of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide is C22H18N4O4.
What is the molecular weight of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
The molecular weight of 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide is 402.13 g/mol.
Where can I buy 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
You can request a quote for 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxyphenethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.