2-Chloro-6-(n-butylamino)purine
TL;DR: 2-Chloro-6-(n-butylamino)purine (CAS 100707-76-4) is a chemical compound with molecular formula C9H12ClN5 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-chloro-7H-purin-6-amine
Also Known As: 2-chloro-6-(n-butylamino)purine, N-butyl-2-chloro-7H-purin-6-amine, 9H-Purin-6-amine, N-butyl-2-chloro-
| Molecular Formula | C9H12ClN5 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.2183 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.07812 |
| Heavy Atoms | 15 |
| Complexity | 452.69946 |
Chemical Identifiers
| CAS Number | 100707-76-4 |
|---|---|
| SMILES | CCCCNC1=NC(=NC2=C1NC=N2)Cl |
Product Overview
2-Chloro-6-(n-butylamino)purine (CAS 100707-76-4), with molecular formula C9H12ClN5 and molecular weight 225.08 g/mol. IUPAC: N-butyl-2-chloro-7H-purin-6-amine.
Chemical Property Profile of 2-Chloro-6-(n-butylamino)purine
Property Insights of 2-Chloro-6-(n-butylamino)purine
The XLogP value of 2.2183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-(n-butylamino)purine. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-6-(n-butylamino)purine. Following Lipinski's Rule of Five, 2-Chloro-6-(n-butylamino)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 2-Chloro-6-(n-butylamino)purine?
The CAS number of 2-Chloro-6-(n-butylamino)purine is 100707-76-4.
What is the molecular formula of 2-Chloro-6-(n-butylamino)purine?
The molecular formula of 2-Chloro-6-(n-butylamino)purine is C9H12ClN5.
What is the molecular weight of 2-Chloro-6-(n-butylamino)purine?
The molecular weight of 2-Chloro-6-(n-butylamino)purine is 225.08 g/mol.
Where can I buy 2-Chloro-6-(n-butylamino)purine?
You can request a quote for 2-Chloro-6-(n-butylamino)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(n-butylamino)purine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(n-butylamino)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.