![7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/540/540772-07-4.png)
7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 540772-07-4) is a chemical compound with molecular formula C14H10Cl2N4O3 and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione
Also Known As: 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione, 1H-Purine-2,6-dione, 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,7-dihydro-3-methyl-, 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H10Cl2N4O3 |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 1.613 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.013 |
| Heavy Atoms | 23 |
| Complexity | 1048.3375 |
Chemical Identifiers
| CAS Number | 540772-07-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 540772-07-4), with molecular formula C14H10Cl2N4O3 and molecular weight 352.01 g/mol. IUPAC: 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 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 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 540772-07-4.
What is the molecular formula of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C14H10Cl2N4O3.
What is the molecular weight of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 352.01 g/mol.
Where can I buy 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.