8-Chloro-9h-purine
TL;DR: 8-Chloro-9h-purine (CAS 20939-62-2) is a chemical compound with molecular formula C5H3ClN4 and molecular weight 154.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7H-purine
Also Known As: 8-chloro-9h-purine, 8-CHLOROPURINE, 8-chloro-7H-purine, Benzylmorphine, 8-Chlorpurin
| Molecular Formula | C5H3ClN4 |
|---|---|
| Molecular Weight | 154.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.00462 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 20939-62-2 |
|---|---|
| SMILES | C1=C2C(=NC=N1)N=C(N2)Cl |
| InChIKey | QVCWUHVQEGPLHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Chloro-9h-purine (CAS 20939-62-2), with molecular formula C5H3ClN4 and molecular weight 154.00 g/mol. IUPAC: 8-chloro-7H-purine.
Chemical Property Profile of 8-Chloro-9h-purine
Property Insights of 8-Chloro-9h-purine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-9h-purine. With a topological polar surface area (TPSA) of 54.5 Ų, 8-Chloro-9h-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-9h-purine has 1 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 8-Chloro-9h-purine?
The CAS number of 8-Chloro-9h-purine is 20939-62-2.
What is the molecular formula of 8-Chloro-9h-purine?
The molecular formula of 8-Chloro-9h-purine is C5H3ClN4.
What is the molecular weight of 8-Chloro-9h-purine?
The molecular weight of 8-Chloro-9h-purine is 154.00 g/mol.
Where can I buy 8-Chloro-9h-purine?
You can request a quote for 8-Chloro-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.