9-(2-Bromoethyl)adenine
TL;DR: 9-(2-Bromoethyl)adenine (CAS 794-43-4) is a chemical compound with molecular formula C7H8BrN5 and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-bromoethyl)purin-6-amine
Also Known As: 9-(2-bromoethyl)-9h-purin-6-amine, 9-(2-Bromoethyl)adenine, 9-(2-bromoethyl)purin-6-amine, 9-(2-bromoethyl)ade-nine, 6-AMINO-9-(2-BROMOETHYL)-9H-PURINE
| Molecular Formula | C7H8BrN5 |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.9963 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 794-43-4 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CCBr)N |
| InChIKey | XWQMXSNGFXQZDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(2-Bromoethyl)adenine (CAS 794-43-4), with molecular formula C7H8BrN5 and molecular weight 241.00 g/mol. IUPAC: 9-(2-bromoethyl)purin-6-amine.
Chemical Property Profile of 9-(2-Bromoethyl)adenine
Property Insights of 9-(2-Bromoethyl)adenine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-Bromoethyl)adenine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-Bromoethyl)adenine. Following Lipinski's Rule of Five, 9-(2-Bromoethyl)adenine has 1 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 9-(2-Bromoethyl)adenine?
The CAS number of 9-(2-Bromoethyl)adenine is 794-43-4.
What is the molecular formula of 9-(2-Bromoethyl)adenine?
The molecular formula of 9-(2-Bromoethyl)adenine is C7H8BrN5.
What is the molecular weight of 9-(2-Bromoethyl)adenine?
The molecular weight of 9-(2-Bromoethyl)adenine is 241.00 g/mol.
Where can I buy 9-(2-Bromoethyl)adenine?
You can request a quote for 9-(2-Bromoethyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Bromoethyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Bromoethyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.