7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 109286-40-0) 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.
7-benzyl-8-chloro-1,3-dimethylpurine-2,6-dione
Also Known As: 1,3-dimethyl-7-benzyl-8-chloroxanthine, BAS 04890579, 7-benzyl-8-chloro-1,3-dimethylpurine-2,6-dione, J1.708.016D, 7-benzyl-8-chloro-1,3-dimethyl-2,3,6,7-tetrahydro-1H-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 | 441.0 |
Chemical Identifiers
| CAS Number | 109286-40-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3 |
| InChIKey | MFFGCBDQVBOJBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 109286-40-0), with molecular formula C14H13ClN4O2 and molecular weight 304.07 g/mol. IUPAC: 7-benzyl-8-chloro-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 7-Benzyl-8-chloro-1,3-dimethyl-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-8-chloro-1,3-dimethyl-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-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 109286-40-0.
What is the molecular formula of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C14H13ClN4O2.
What is the molecular weight of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 304.07 g/mol.
Where can I buy 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Benzyl-8-chloro-1,3-dimethyl-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-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.