2-chloro-6,9-dimethyl-9H-purine
TL;DR: 2-chloro-6,9-dimethyl-9H-purine (CAS 5176-91-0) is a chemical compound with molecular formula C7H7ClN4 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6,9-dimethylpurine
Also Known As: 2-Chloro-6,9-dimethyl-9H-purine, 2-chloro-6,9-dimethylpurine, IMESDNKNMQDHLR-UHFFFAOYSA-, purine, 2-chloro-6,9-dimethyl-, 889-379-9
| Molecular Formula | C7H7ClN4 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.32512 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.03592 |
| Heavy Atoms | 12 |
| Complexity | 434.14417 |
Chemical Identifiers
| CAS Number | 5176-91-0 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)Cl)N(C=N2)C |
Product Overview
2-chloro-6,9-dimethyl-9H-purine (CAS 5176-91-0), with molecular formula C7H7ClN4 and molecular weight 182.04 g/mol. IUPAC: 2-chloro-6,9-dimethylpurine.
Chemical Property Profile of 2-chloro-6,9-dimethyl-9H-purine
Property Insights of 2-chloro-6,9-dimethyl-9H-purine
The XLogP value of 1.32512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-6,9-dimethyl-9H-purine. With a topological polar surface area (TPSA) of 43.6 Ų, 2-chloro-6,9-dimethyl-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-6,9-dimethyl-9H-purine 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-6,9-dimethyl-9H-purine?
The CAS number of 2-chloro-6,9-dimethyl-9H-purine is 5176-91-0.
What is the molecular formula of 2-chloro-6,9-dimethyl-9H-purine?
The molecular formula of 2-chloro-6,9-dimethyl-9H-purine is C7H7ClN4.
What is the molecular weight of 2-chloro-6,9-dimethyl-9H-purine?
The molecular weight of 2-chloro-6,9-dimethyl-9H-purine is 182.04 g/mol.
Where can I buy 2-chloro-6,9-dimethyl-9H-purine?
You can request a quote for 2-chloro-6,9-dimethyl-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6,9-dimethyl-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6,9-dimethyl-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.