2-Chloroadenine
TL;DR: 2-Chloroadenine (CAS 1839-18-5) is a chemical compound with molecular formula C5H4ClN5 and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-7H-purin-6-amine
Also Known As: 2-Chloroadenine, 2-chloro-9H-purin-6-amine, 2-chloro-7H-purin-6-amine, 2-Chloro-6-aminopurine, 6-Amino-2-chloropurine
| Molecular Formula | C5H4ClN5 |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.01552 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 1839-18-5 |
|---|---|
| SMILES | C1=NC2=NC(=NC(=C2N1)N)Cl |
| InChIKey | HBJGQJWNMZDFKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroadenine (CAS 1839-18-5), with molecular formula C5H4ClN5 and molecular weight 169.02 g/mol. IUPAC: 2-chloro-7H-purin-6-amine.
Chemical Property Profile of 2-Chloroadenine
Property Insights of 2-Chloroadenine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroadenine. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroadenine. Following Lipinski's Rule of Five, 2-Chloroadenine has 2 hydrogen bond donor(s) and 4 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-Chloroadenine?
The CAS number of 2-Chloroadenine is 1839-18-5.
What is the molecular formula of 2-Chloroadenine?
The molecular formula of 2-Chloroadenine is C5H4ClN5.
What is the molecular weight of 2-Chloroadenine?
The molecular weight of 2-Chloroadenine is 169.02 g/mol.
Where can I buy 2-Chloroadenine?
You can request a quote for 2-Chloroadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroadenine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.