6-(Heptylthio)-1H-purine
TL;DR: 6-(Heptylthio)-1H-purine (CAS 83277-80-9) is a chemical compound with molecular formula C12H18N4S and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-heptylsulfanyl-7H-purine
Also Known As: 6-n-Heptylmercaptopurine, Cetylamine, 6-(Heptylthio)-1H-purine, 6-heptylsulfanyl-7H-purine, Purine, 6-(heptylthio)-
| Molecular Formula | C12H18N4S |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12521 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 83277-80-9 |
|---|---|
| SMILES | CCCCCCCSC1=NC=NC2=C1NC=N2 |
| InChIKey | AJMDBPAFRPBUDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Heptylthio)-1H-purine (CAS 83277-80-9), with molecular formula C12H18N4S and molecular weight 250.13 g/mol. IUPAC: 6-heptylsulfanyl-7H-purine.
Chemical Property Profile of 6-(Heptylthio)-1H-purine
Property Insights of 6-(Heptylthio)-1H-purine
The XLogP value of 3.5 indicates that 6-(Heptylthio)-1H-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Heptylthio)-1H-purine. Following Lipinski's Rule of Five, 6-(Heptylthio)-1H-purine has 1 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 6-(Heptylthio)-1H-purine?
The CAS number of 6-(Heptylthio)-1H-purine is 83277-80-9.
What is the molecular formula of 6-(Heptylthio)-1H-purine?
The molecular formula of 6-(Heptylthio)-1H-purine is C12H18N4S.
What is the molecular weight of 6-(Heptylthio)-1H-purine?
The molecular weight of 6-(Heptylthio)-1H-purine is 250.13 g/mol.
Where can I buy 6-(Heptylthio)-1H-purine?
You can request a quote for 6-(Heptylthio)-1H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Heptylthio)-1H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Heptylthio)-1H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.