6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol
TL;DR: 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol (CAS 347340-51-6) is a chemical compound with molecular formula C13H13N5OS and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-9-(2-phenoxyethyl)-7H-purine-8-thione
Also Known As: NSD3-IN-1, ChemDiv1_009766, 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol, 6-amino-9-(2-phenoxyethyl)-7H-purine-8-thione, AB00117550-01
| Molecular Formula | C13H13N5OS |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.08408 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 347340-51-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCN2C3=NC=NC(=C3NC2=S)N |
| InChIKey | JBEQBNJBWHOCNW-UHFFFAOYSA-N |
Product Overview
6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol (CAS 347340-51-6), with molecular formula C13H13N5OS and molecular weight 287.08 g/mol. IUPAC: 6-amino-9-(2-phenoxyethyl)-7H-purine-8-thione.
Chemical Property Profile of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol
Property Insights of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol. Following Lipinski's Rule of Five, 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol has 2 hydrogen bond donor(s) and 5 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-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol?
The CAS number of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol is 347340-51-6.
What is the molecular formula of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol?
The molecular formula of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol is C13H13N5OS.
What is the molecular weight of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol?
The molecular weight of 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol is 287.08 g/mol.
Where can I buy 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol?
You can request a quote for 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-9-(2-phenoxyethyl)-9H-purine-8-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.