巯嘌呤
TL;DR: 巯嘌呤 (CAS 50-44-2) is a chemical compound with molecular formula C5H6N4S and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巯嘌呤
1,4,5,7-tetrahydropurine-6-thione
Also Known As: 6-Mercaptopurine, 6-Mercaptopurine deriv., Purine-6(1H)-thione, med.21724, Compound 171, 5,9-dihydro-4H-purine-6-thiol
| Molecular Formula | C5H6N4S |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | -0.7285 |
| Topological Polar Surface Area | 48.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.03131 |
| Heavy Atoms | 10 |
| Complexity | 221.68784 |
Chemical Identifiers
| CAS Number | 50-44-2 |
|---|---|
| SMILES | C1=NC2C(N1)C(=S)NC=N2 |
Product Overview
巯嘌呤 (CAS 50-44-2), with molecular formula C5H6N4S and molecular weight 154.03 g/mol. IUPAC: 1,4,5,7-tetrahydropurine-6-thione.
Chemical Property Profile of 巯嘌呤
Property Insights of 巯嘌呤
The XLogP value of -0.7285 indicates that 巯嘌呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.78 Ų, 巯嘌呤 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巯嘌呤 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 巯嘌呤?
The CAS number of 巯嘌呤 is 50-44-2.
What is the molecular formula of 巯嘌呤?
The molecular formula of 巯嘌呤 is C5H6N4S.
What is the molecular weight of 巯嘌呤?
The molecular weight of 巯嘌呤 is 154.03 g/mol.
Where can I buy 巯嘌呤?
You can request a quote for 巯嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巯嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 巯嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.