9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-
TL;DR: 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- (CAS 115204-58-5) is a chemical compound with molecular formula C18H22ClN5 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine
Also Known As: 9-(4-(tert-Butyl)benzyl)-2-chloro-N,N-dimethyl-9H-purin-6-amine, 1H-1,2,4-Triazole,1-[(4-methoxyphenyl)methyl], 9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethyl-9H-purin-6-amine, 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-, 9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine
| Molecular Formula | C18H22ClN5 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 3.8915 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.15637 |
| Heavy Atoms | 24 |
| Complexity | 859.48676 |
Chemical Identifiers
| CAS Number | 115204-58-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)Cl |
Product Overview
9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- (CAS 115204-58-5), with molecular formula C18H22ClN5 and molecular weight 343.16 g/mol. IUPAC: 9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine.
Chemical Property Profile of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-
Property Insights of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-
The XLogP value of 3.8915 indicates that 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.84 Ų, 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- has 0 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-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-?
The CAS number of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- is 115204-58-5.
What is the molecular formula of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-?
The molecular formula of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- is C18H22ClN5.
What is the molecular weight of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-?
The molecular weight of 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- is 343.16 g/mol.
Where can I buy 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-?
You can request a quote for 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, 2-chloro-9-((4-(1,1-dimethylethyl)phenyl)methyl)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.