![8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine structure](/static/products/313/313067-29-7.png)
8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine
TL;DR: 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine (CAS 313067-29-7) is a chemical compound with molecular formula C14H16N6OS and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(3-methylphenoxy)ethylsulfanyl]-7H-purine-2,6-diamine
Also Known As: 8-[2-(3-methylphenoxy)ethylsulfanyl]-7H-purine-2,6-diamine, 8-(2-m-Tolyloxy-ethylsulfanyl)-9H-purine-2,6-diamine, 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine, 2-amino-8-({2-[(3-methylphenyl)oxy]ethyl}sulfanyl)-9H-purin-6-ylamine
| Molecular Formula | C14H16N6OS |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 1.99682 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.11063 |
| Heavy Atoms | 22 |
| Complexity | 803.12744 |
Chemical Identifiers
| CAS Number | 313067-29-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCSC2=NC3=NC(=NC(=C3N2)N)N |
Product Overview
8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine (CAS 313067-29-7), with molecular formula C14H16N6OS and molecular weight 316.11 g/mol. IUPAC: 8-[2-(3-methylphenoxy)ethylsulfanyl]-7H-purine-2,6-diamine.
Chemical Property Profile of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine
Property Insights of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine
The XLogP value of 1.99682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine. Following Lipinski's Rule of Five, 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine has 3 hydrogen bond donor(s) and 7 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 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine?
The CAS number of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine is 313067-29-7.
What is the molecular formula of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine?
The molecular formula of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine is C14H16N6OS.
What is the molecular weight of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine?
The molecular weight of 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine is 316.11 g/mol.
Where can I buy 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine?
You can request a quote for 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 8-{[2-(3-methylphenoxy)ethyl]thio}-9H-purine-2,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.