![1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione structure](/static/products/796/79603-49-9.png)
1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
TL;DR: 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione (CAS 79603-49-9) is a chemical compound with molecular formula C14H13ClN4O2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: BAS 01278628, 1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, AN-023/13306074, 1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-(2-Chloro-benzyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C14H13ClN4O2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0727 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 79603-49-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl |
| InChIKey | IEHJULFKCGVXGX-UHFFFAOYSA-N |
Product Overview
1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione (CAS 79603-49-9), with molecular formula C14H13ClN4O2 and molecular weight 304.07 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Property Insights of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-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 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione is 79603-49-9.
What is the molecular formula of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione is C14H13ClN4O2.
What is the molecular weight of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione is 304.07 g/mol.
Where can I buy 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-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 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.