9-Benzyl-2-chloro-9h-purin-6-amine
TL;DR: 9-Benzyl-2-chloro-9h-purin-6-amine (CAS 56501-79-2) is a chemical compound with molecular formula C12H10ClN5 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-chloropurin-6-amine
Also Known As: 9-benzyl-2-chloro-9h-purin-6-amine, 9-benzyl-2-chloropurin-6-amine, 9-Benzyl-2-chloroadenine, 6-amino-9-benzyl-2-chloropurine, 9-benzyl-2-chloro-9H-adenine
| Molecular Formula | C12H10ClN5 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06247 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 56501-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)N |
| InChIKey | HMCPIAFQZBMKOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Benzyl-2-chloro-9h-purin-6-amine (CAS 56501-79-2), with molecular formula C12H10ClN5 and molecular weight 259.06 g/mol. IUPAC: 9-benzyl-2-chloropurin-6-amine.
Chemical Property Profile of 9-Benzyl-2-chloro-9h-purin-6-amine
Property Insights of 9-Benzyl-2-chloro-9h-purin-6-amine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-2-chloro-9h-purin-6-amine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzyl-2-chloro-9h-purin-6-amine. Following Lipinski's Rule of Five, 9-Benzyl-2-chloro-9h-purin-6-amine 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-Benzyl-2-chloro-9h-purin-6-amine?
The CAS number of 9-Benzyl-2-chloro-9h-purin-6-amine is 56501-79-2.
What is the molecular formula of 9-Benzyl-2-chloro-9h-purin-6-amine?
The molecular formula of 9-Benzyl-2-chloro-9h-purin-6-amine is C12H10ClN5.
What is the molecular weight of 9-Benzyl-2-chloro-9h-purin-6-amine?
The molecular weight of 9-Benzyl-2-chloro-9h-purin-6-amine is 259.06 g/mol.
Where can I buy 9-Benzyl-2-chloro-9h-purin-6-amine?
You can request a quote for 9-Benzyl-2-chloro-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-2-chloro-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2-chloro-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.