![1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide structure](/static/products/902/902014-75-9.png)
1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
TL;DR: 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide (CAS 902014-75-9) is a chemical compound with molecular formula C26H21ClN4O2 and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-N-[(2-chlorophenyl)methyl]-12-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Also Known As: 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide, F3345-0018, 6-benzyl-N-[(2-chlorophenyl)methyl]-12-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide, 6-benzyl-N-[(2-chlorophenyl)methyl]-12-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
| Molecular Formula | C26H21ClN4O2 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.58932 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.1353 |
| Heavy Atoms | 33 |
| Complexity | 1553.9742 |
Chemical Identifiers
| CAS Number | 902014-75-9 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(N3CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5Cl)C=C1 |
Product Overview
1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide (CAS 902014-75-9), with molecular formula C26H21ClN4O2 and molecular weight 456.14 g/mol. IUPAC: 6-benzyl-N-[(2-chlorophenyl)methyl]-12-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
Chemical Property Profile of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Property Insights of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
The XLogP value of 4.58932 indicates that 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide has 1 hydrogen bond donor(s) and 3 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 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The CAS number of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide is 902014-75-9.
What is the molecular formula of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The molecular formula of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide is C26H21ClN4O2.
What is the molecular weight of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The molecular weight of 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide is 456.14 g/mol.
Where can I buy 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide?
You can request a quote for 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-N-(2-chlorobenzyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.