![1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide structure](/static/products/858/858751-32-3.png)
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858751-32-3) is a chemical compound with molecular formula C30H29N5O5 and molecular weight 539.22 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-N-[(4-methoxyphenyl)methyl]-2-oxo-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-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(3,4-dimethoxyphenethyl)-2-imino-N-(4-methoxybenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C30H29N5O5 |
|---|---|
| Molecular Weight | 539.22 g/mol |
| LogP | 3.32717 |
| Topological Polar Surface Area | 119.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.21686 |
| Heavy Atoms | 40 |
| Complexity | 1825.9962 |
Chemical Identifiers
| CAS Number | 858751-32-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC(=C(C=C5)OC)OC |
Product Overview
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858751-32-3), with molecular formula C30H29N5O5 and molecular weight 539.22 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-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-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 3.32717 indicates that 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-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 119.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 7 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-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 858751-32-3.
What is the molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C30H29N5O5.
What is the molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 539.22 g/mol.
Where can I buy 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-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-N-(4-methoxybenzyl)-5-oxo-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.