1-butyl-7H-purine-6-thione
TL;DR: 1-butyl-7H-purine-6-thione (CAS 40067-47-8) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-7H-purine-6-thione
Also Known As: 1-butyl-7H-purine-6-thione, 1-butyl-1,9-dihydro-purine-6-thione, 1-butyl-1,7-dihydro-6H-purine-6-thione
| Molecular Formula | C9H12N4S |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.28899 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07826 |
| Heavy Atoms | 14 |
| Complexity | 484.76276 |
Chemical Identifiers
| CAS Number | 40067-47-8 |
|---|---|
| SMILES | CCCCN1C=NC2=C(C1=S)NC=N2 |
Product Overview
1-butyl-7H-purine-6-thione (CAS 40067-47-8), with molecular formula C9H12N4S and molecular weight 208.08 g/mol. IUPAC: 1-butyl-7H-purine-6-thione.
Chemical Property Profile of 1-butyl-7H-purine-6-thione
Property Insights of 1-butyl-7H-purine-6-thione
The XLogP value of 2.28899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-7H-purine-6-thione. With a topological polar surface area (TPSA) of 46.5 Ų, 1-butyl-7H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-7H-purine-6-thione has 1 hydrogen bond donor(s) and 3 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 1-butyl-7H-purine-6-thione?
The CAS number of 1-butyl-7H-purine-6-thione is 40067-47-8.
What is the molecular formula of 1-butyl-7H-purine-6-thione?
The molecular formula of 1-butyl-7H-purine-6-thione is C9H12N4S.
What is the molecular weight of 1-butyl-7H-purine-6-thione?
The molecular weight of 1-butyl-7H-purine-6-thione is 208.08 g/mol.
Where can I buy 1-butyl-7H-purine-6-thione?
You can request a quote for 1-butyl-7H-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 1-butyl-7H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-7H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.