![N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide structure](/static/products/847/847045-64-1.png)
N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide (CAS 847045-64-1) is a chemical compound with molecular formula C29H26ClN5O4 and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-N-[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-carboxamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide, 1-(2-chlorobenzyl)-N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(2-chlorobenzyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6- dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
| Molecular Formula | C29H26ClN5O4 |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 3.82007 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.16736 |
| Heavy Atoms | 39 |
| Complexity | 1829.4064 |
Chemical Identifiers
| CAS Number | 847045-64-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5Cl)OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide (CAS 847045-64-1), with molecular formula C29H26ClN5O4 and molecular weight 543.17 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-N-[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-carboxamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
The XLogP value of 3.82007 indicates that N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}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 N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}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 N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide is 847045-64-1.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide is C29H26ClN5O4.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide is 543.17 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.