7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 442871-24-1) is a chemical compound with molecular formula C20H17ClN4O2 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_028477, MixCom6_000669, AB01276481-01, 7-benzyl-1-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione, A2588/0110218
| Molecular Formula | C20H17ClN4O2 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.104 |
| Heavy Atoms | 27 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 442871-24-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N(C=N2)CC4=CC=CC=C4 |
| InChIKey | AMVYIWDUIZXASU-UHFFFAOYSA-N |
Product Overview
7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 442871-24-1), with molecular formula C20H17ClN4O2 and molecular weight 380.10 g/mol. IUPAC: 7-benzyl-1-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.3 indicates that 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 0 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 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 442871-24-1.
What is the molecular formula of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C20H17ClN4O2.
What is the molecular weight of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 380.10 g/mol.
Where can I buy 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Benzyl-1-(3-chlorobenzyl)-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-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.