7H-Purine, 6-chloro-7-methyl-
TL;DR: 7H-Purine, 6-chloro-7-methyl- (CAS 5440-17-5) is a chemical compound with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-methylpurine
Also Known As: 6-Chloro-7-methylpurine, 6-chloro-7-methyl-7H-purine, 7-Methyl-6-chloropurine, 7H-Purine, 6-chloro-7-methyl-, 2-acetamidododecanoic acid
| Molecular Formula | C6H5ClN4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.02028 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 5440-17-5 |
|---|---|
| SMILES | CN1C=NC2=C1C(=NC=N2)Cl |
| InChIKey | NCZREVPKGQGLFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7H-Purine, 6-chloro-7-methyl- (CAS 5440-17-5), with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol. IUPAC: 6-chloro-7-methylpurine.
Chemical Property Profile of 7H-Purine, 6-chloro-7-methyl-
Property Insights of 7H-Purine, 6-chloro-7-methyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Purine, 6-chloro-7-methyl-. With a topological polar surface area (TPSA) of 43.6 Ų, 7H-Purine, 6-chloro-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Purine, 6-chloro-7-methyl- 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 7H-Purine, 6-chloro-7-methyl-?
The CAS number of 7H-Purine, 6-chloro-7-methyl- is 5440-17-5.
What is the molecular formula of 7H-Purine, 6-chloro-7-methyl-?
The molecular formula of 7H-Purine, 6-chloro-7-methyl- is C6H5ClN4.
What is the molecular weight of 7H-Purine, 6-chloro-7-methyl-?
The molecular weight of 7H-Purine, 6-chloro-7-methyl- is 168.02 g/mol.
Where can I buy 7H-Purine, 6-chloro-7-methyl-?
You can request a quote for 7H-Purine, 6-chloro-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Purine, 6-chloro-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Purine, 6-chloro-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.