2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
TL;DR: 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one (CAS 16017-75-7) is a chemical compound with molecular formula C7H7ClN4O and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,7-dimethylpurin-6-one
Also Known As: 2-chloro-1,7-dimethylpurin-6-one, 2-Chloro-1,7-dimethyl-hypoxanthine, 2-chloro-1,7-dimethyl-purin-6-one, 2-chloro-1,7-dimethylhypoxanthine, 2-Chloro-1,7-dimethyl-1H-purin-6(7H)-one
| Molecular Formula | C7H7ClN4O |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.03084 |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 16017-75-7 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=N2)Cl)C |
| InChIKey | BLSBCAJHDNITIC-UHFFFAOYSA-N |
Product Overview
2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one (CAS 16017-75-7), with molecular formula C7H7ClN4O and molecular weight 198.03 g/mol. IUPAC: 2-chloro-1,7-dimethylpurin-6-one.
Chemical Property Profile of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
Property Insights of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one. With a topological polar surface area (TPSA) of 50.5 Ų, 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one 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 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one?
The CAS number of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one is 16017-75-7.
What is the molecular formula of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one?
The molecular formula of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one is C7H7ClN4O.
What is the molecular weight of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one?
The molecular weight of 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one is 198.03 g/mol.
Where can I buy 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one?
You can request a quote for 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.