9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-
TL;DR: 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- (CAS 104715-66-4) is a chemical compound with molecular formula C15H16ClN5 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-6-chloro-7H-purin-2-amine
Also Known As: 2-(p-n-Butylanilino)-6-chloropurine, 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-, 2-((4-Butylphenyl)amino)-6-chloro-9H-purine, N-(4-butylphenyl)-6-chloro-7H-purin-2-amine, NCI60_029195
| Molecular Formula | C15H16ClN5 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 4.0925 |
| Topological Polar Surface Area | 66.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.10944 |
| Heavy Atoms | 21 |
| Complexity | 735.4087 |
Chemical Identifiers
| CAS Number | 104715-66-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)NC=N3 |
Product Overview
9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- (CAS 104715-66-4), with molecular formula C15H16ClN5 and molecular weight 301.11 g/mol. IUPAC: N-(4-butylphenyl)-6-chloro-7H-purin-2-amine.
Chemical Property Profile of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-
Property Insights of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-
The XLogP value of 4.0925 indicates that 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-. Following Lipinski's Rule of Five, 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- 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 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-?
The CAS number of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- is 104715-66-4.
What is the molecular formula of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-?
The molecular formula of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- is C15H16ClN5.
What is the molecular weight of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-?
The molecular weight of 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- is 301.11 g/mol.
Where can I buy 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-?
You can request a quote for 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 2-((4-butylphenyl)amino)-6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.