![6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/879/879477-65-3.png)
6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 879477-65-3) is a chemical compound with molecular formula C21H21ClN4O2 and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-[(2-CHLOROPHENYL)METHYL]-1-(2,3-DIMETHYLPHENYL)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE, 6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H21ClN4O2 |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 3.18124 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.1353 |
| Heavy Atoms | 28 |
| Complexity | 1165.7977 |
Chemical Identifiers
| CAS Number | 879477-65-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3=C(CN(CN3)CC4=CC=CC=C4Cl)C(=O)NC2=O)C |
Product Overview
6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 879477-65-3), with molecular formula C21H21ClN4O2 and molecular weight 396.14 g/mol. IUPAC: 6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.18124 indicates that 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 4 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 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 879477-65-3.
What is the molecular formula of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C21H21ClN4O2.
What is the molecular weight of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 396.14 g/mol.
Where can I buy 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-chlorobenzyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.