9-(n-Butyl)-6-thioguanine
TL;DR: 9-(n-Butyl)-6-thioguanine (CAS 30546-08-8) is a chemical compound with molecular formula C9H13N5S and molecular weight 223.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-butyl-3H-purine-6-thione
Also Known As: 9-Butyl-6-thioguanine, 9- -6-thioguanine, 9-(n-Butyl)-6-thioguanine, 2-amino-9-butyl-3H-purine-6-thione, 6H-Purine-6-thione,9-dihydro-
| Molecular Formula | C9H13N5S |
|---|---|
| Molecular Weight | 223.09 g/mol |
| LogP | 1.87119 |
| Topological Polar Surface Area | 72.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08917 |
| Heavy Atoms | 15 |
| Complexity | 526.7725 |
Chemical Identifiers
| CAS Number | 30546-08-8 |
|---|---|
| SMILES | CCCCN1C=NC2=C1NC(=NC2=S)N |
Product Overview
9-(n-Butyl)-6-thioguanine (CAS 30546-08-8), with molecular formula C9H13N5S and molecular weight 223.09 g/mol. IUPAC: 2-amino-9-butyl-3H-purine-6-thione.
Chemical Property Profile of 9-(n-Butyl)-6-thioguanine
Property Insights of 9-(n-Butyl)-6-thioguanine
The XLogP value of 1.87119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(n-Butyl)-6-thioguanine. The TPSA of 72.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(n-Butyl)-6-thioguanine. Following Lipinski's Rule of Five, 9-(n-Butyl)-6-thioguanine has 2 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 9-(n-Butyl)-6-thioguanine?
The CAS number of 9-(n-Butyl)-6-thioguanine is 30546-08-8.
What is the molecular formula of 9-(n-Butyl)-6-thioguanine?
The molecular formula of 9-(n-Butyl)-6-thioguanine is C9H13N5S.
What is the molecular weight of 9-(n-Butyl)-6-thioguanine?
The molecular weight of 9-(n-Butyl)-6-thioguanine is 223.09 g/mol.
Where can I buy 9-(n-Butyl)-6-thioguanine?
You can request a quote for 9-(n-Butyl)-6-thioguanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(n-Butyl)-6-thioguanine?
Yes, KEHONG BIO provides custom synthesis services for 9-(n-Butyl)-6-thioguanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.