![benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate structure](/static/products/4942/494200-72-5.webp)
benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 494200-72-5) is a chemical compound with molecular formula C23H21ClN4O4 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-(2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, benzyl 6-(2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C23H21ClN4O4 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 3.36982 |
| Topological Polar Surface Area | 93.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.12512 |
| Heavy Atoms | 32 |
| Complexity | 1316.816 |
Chemical Identifiers
| CAS Number | 494200-72-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)C3C(=C(N(C(=O)N3)C)C)C(=O)OCC4=CC=CC=C4)Cl |
Product Overview
benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 494200-72-5), with molecular formula C23H21ClN4O4 and molecular weight 452.13 g/mol. IUPAC: benzyl 6-(2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 3.36982 indicates that benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.01 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 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 benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 494200-72-5.
What is the molecular formula of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C23H21ClN4O4.
What is the molecular weight of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 452.13 g/mol.
Where can I buy benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-(2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.