![1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide structure](/static/products/858/858756-17-9.png)
1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
TL;DR: 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide (CAS 858756-17-9) is a chemical compound with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-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-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide, 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C22H19N5O3 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 2.26025 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1488 |
| Heavy Atoms | 30 |
| Complexity | 1429.4117 |
Chemical Identifiers
| CAS Number | 858756-17-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=N)C#N)C(=O)N4C=CC=CC4=N3)OC |
Product Overview
1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide (CAS 858756-17-9), with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-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-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
Property Insights of 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
The XLogP value of 2.26025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-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-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide has 1 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-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
The CAS number of 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide is 858756-17-9.
What is the molecular formula of 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
The molecular formula of 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide is C22H19N5O3.
What is the molecular weight of 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide?
The molecular weight of 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide is 401.15 g/mol.
Where can I buy 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-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-imino-5-oxo-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-imino-5-oxo-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-imino-5-oxo-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.