![9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione structure](/static/products/1620/16208-03-0.webp)
9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione
TL;DR: 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione (CAS 16208-03-0) is a chemical compound with molecular formula C15H17N5O2S and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione
Also Known As: 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione, 9-{4-[Bis(2-hydroxyethyl)amino]phenyl}-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C15H17N5O2S |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.26909 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1103 |
| Heavy Atoms | 23 |
| Complexity | 836.9446 |
Chemical Identifiers
| CAS Number | 16208-03-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=NC3=C2NC=NC3=S)N(CCO)CCO |
Product Overview
9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione (CAS 16208-03-0), with molecular formula C15H17N5O2S and molecular weight 331.11 g/mol. IUPAC: 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione.
Chemical Property Profile of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione
Property Insights of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione
The XLogP value of 1.26909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione. Following Lipinski's Rule of Five, 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione has 3 hydrogen bond donor(s) and 6 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 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione?
The CAS number of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione is 16208-03-0.
What is the molecular formula of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione?
The molecular formula of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione is C15H17N5O2S.
What is the molecular weight of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione?
The molecular weight of 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione is 331.11 g/mol.
Where can I buy 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione?
You can request a quote for 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-[4-[bis(2-hydroxyethyl)amino]phenyl]-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.