6-(3-Chlorobenzylamino)purine
TL;DR: 6-(3-Chlorobenzylamino)purine (CAS 67023-53-4) 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.
N-[(3-chlorophenyl)methyl]-7H-purin-6-amine
Also Known As: 6-(3-chlorobenzylamino)purine, 6-(CBA)P cpd, N-[(3-chlorophenyl)methyl]-7H-purin-6-amine, 6-(3-chlorobenzylamino) purine, ADENINE,6N-M-CHLOROBENZYL
| Molecular Formula | C12H10ClN5 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 2.6184 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.06247 |
| Heavy Atoms | 18 |
| Complexity | 678.7943 |
Chemical Identifiers
| CAS Number | 67023-53-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC2=NC=NC3=C2NC=N3 |
Product Overview
6-(3-Chlorobenzylamino)purine (CAS 67023-53-4), with molecular formula C12H10ClN5 and molecular weight 259.06 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-7H-purin-6-amine.
Chemical Property Profile of 6-(3-Chlorobenzylamino)purine
Property Insights of 6-(3-Chlorobenzylamino)purine
The XLogP value of 2.6184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-Chlorobenzylamino)purine. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-Chlorobenzylamino)purine. Following Lipinski's Rule of Five, 6-(3-Chlorobenzylamino)purine 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 6-(3-Chlorobenzylamino)purine?
The CAS number of 6-(3-Chlorobenzylamino)purine is 67023-53-4.
What is the molecular formula of 6-(3-Chlorobenzylamino)purine?
The molecular formula of 6-(3-Chlorobenzylamino)purine is C12H10ClN5.
What is the molecular weight of 6-(3-Chlorobenzylamino)purine?
The molecular weight of 6-(3-Chlorobenzylamino)purine is 259.06 g/mol.
Where can I buy 6-(3-Chlorobenzylamino)purine?
You can request a quote for 6-(3-Chlorobenzylamino)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-Chlorobenzylamino)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-Chlorobenzylamino)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.