![methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate structure](/static/products/846/846596-95-0.png)
methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
TL;DR: methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate (CAS 846596-95-0) is a chemical compound with molecular formula C21H17ClN4O3 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-[(2-chlorophenyl)methyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, 1-(2-Chloro-benzyl)-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid methyl ester, methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C21H17ClN4O3 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 2.92539 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.0989 |
| Heavy Atoms | 29 |
| Complexity | 1405.218 |
Chemical Identifiers
| CAS Number | 846596-95-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4Cl)C(=O)OC |
Product Overview
methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate (CAS 846596-95-0), with molecular formula C21H17ClN4O3 and molecular weight 408.10 g/mol. IUPAC: methyl 7-[(2-chlorophenyl)methyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
Property Insights of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
The XLogP value of 2.92539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate?
The CAS number of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate is 846596-95-0.
What is the molecular formula of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate?
The molecular formula of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate is C21H17ClN4O3.
What is the molecular weight of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate?
The molecular weight of methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate is 408.10 g/mol.
Where can I buy methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate?
You can request a quote for methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(2-chlorobenzyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.