![1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide structure](/static/products/858/858742-40-2.png)
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858742-40-2) is a chemical compound with molecular formula C30H29N5O4 and molecular weight 523.22 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-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, {1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyri dino[2,3-d]pyrimidin-3-yl)}-N-(2-phenylethyl)carboxamide, 1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-N-phenethyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C30H29N5O4 |
|---|---|
| Molecular Weight | 523.22 g/mol |
| LogP | 3.36107 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.222 |
| Heavy Atoms | 39 |
| Complexity | 1776.5941 |
Chemical Identifiers
| CAS Number | 858742-40-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCCC4=CC=CC=C4)C(=O)N5C=CC=CC5=N3)OC |
Product Overview
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858742-40-2), with molecular formula C30H29N5O4 and molecular weight 523.22 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Property Insights of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 3.36107 indicates that 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The CAS number of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 858742-40-2.
What is the molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C30H29N5O4.
What is the molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 523.22 g/mol.
Where can I buy 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
You can request a quote for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.