9H-Purine-9-methanol, 6-(heptylthio)-
TL;DR: 9H-Purine-9-methanol, 6-(heptylthio)- (CAS 14172-54-4) is a chemical compound with molecular formula C13H20N4OS and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-heptylsulfanylpurin-9-yl)methanol
Also Known As: 9H-Purine-9-methanol, 6-(heptylthio)-, (6-heptylsulfanylpurin-9-yl)methanol, (6-(Heptylthio)-9H-purin-9-yl)methanol, 9H-Purine-9-methanol,6-(heptylthio)-, [6-(Heptylsulfanyl)-9H-purin-9-yl]methanol
| Molecular Formula | C13H20N4OS |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.13577 |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 14172-54-4 |
|---|---|
| SMILES | CCCCCCCSC1=NC=NC2=C1N=CN2CO |
| InChIKey | NUJVRANCYMMBBQ-UHFFFAOYSA-N |
Product Overview
9H-Purine-9-methanol, 6-(heptylthio)- (CAS 14172-54-4), with molecular formula C13H20N4OS and molecular weight 280.14 g/mol. IUPAC: (6-heptylsulfanylpurin-9-yl)methanol.
Chemical Property Profile of 9H-Purine-9-methanol, 6-(heptylthio)-
Property Insights of 9H-Purine-9-methanol, 6-(heptylthio)-
The XLogP value of 3.3 indicates that 9H-Purine-9-methanol, 6-(heptylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-9-methanol, 6-(heptylthio)-. Following Lipinski's Rule of Five, 9H-Purine-9-methanol, 6-(heptylthio)- has 1 hydrogen bond donor(s) and 5 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 9H-Purine-9-methanol, 6-(heptylthio)-?
The CAS number of 9H-Purine-9-methanol, 6-(heptylthio)- is 14172-54-4.
What is the molecular formula of 9H-Purine-9-methanol, 6-(heptylthio)-?
The molecular formula of 9H-Purine-9-methanol, 6-(heptylthio)- is C13H20N4OS.
What is the molecular weight of 9H-Purine-9-methanol, 6-(heptylthio)-?
The molecular weight of 9H-Purine-9-methanol, 6-(heptylthio)- is 280.14 g/mol.
Where can I buy 9H-Purine-9-methanol, 6-(heptylthio)-?
You can request a quote for 9H-Purine-9-methanol, 6-(heptylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-9-methanol, 6-(heptylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-9-methanol, 6-(heptylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.