![{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide structure](/static/products/844/844836-03-9.png)
{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide
TL;DR: {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide (CAS 844836-03-9) is a chemical compound with molecular formula C28H24ClN5O3 and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-6-imino-N-[2-(4-methoxyphenyl)ethyl]-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-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide, {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2 ,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide, 1-(2-chlorobenzyl)-2-imino-N-(4-methoxyphenethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(2-chlorobenzyl)-2-imino-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C28H24ClN5O3 |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 3.81147 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.15674 |
| Heavy Atoms | 37 |
| Complexity | 1742.1547 |
Chemical Identifiers
| CAS Number | 844836-03-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5Cl |
Product Overview
{1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide (CAS 844836-03-9), with molecular formula C28H24ClN5O3 and molecular weight 513.16 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-6-imino-N-[2-(4-methoxyphenyl)ethyl]-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-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide
Property Insights of {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide
The XLogP value of 3.81147 indicates that {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide. Following Lipinski's Rule of Five, {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide has 2 hydrogen bond donor(s) and 5 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-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide?
The CAS number of {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide is 844836-03-9.
What is the molecular formula of {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide?
The molecular formula of {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide is C28H24ClN5O3.
What is the molecular weight of {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide?
The molecular weight of {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide is 513.16 g/mol.
Where can I buy {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide?
You can request a quote for {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]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-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide?
Yes, KEHONG BIO provides custom synthesis services for {1-[(2-chlorophenyl)methyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}-N-[2-(4-methoxyphenyl)ethyl]carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.