cis-2-Methyl-4-propyl-1,3-oxathiane
TL;DR: cis-2-Methyl-4-propyl-1,3-oxathiane (CAS 67715-80-4) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-propyl-1,3-oxathiane
Also Known As: 2-Methyl-4-propyl-1,3-oxathiane, Tropathiane, null, Oxane, 2-tropical oxathiane
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| Density | 0.970-0.982 |
| Solubility | insoluble in water; miscible in alcohol and oil |
| Refractive Index | 1.475-1.485 |
Chemical Identifiers
| CAS Number | 67715-80-4 |
|---|---|
| SMILES | CCCC1CCOC(S1)C |
| InChIKey | GKGOLPMYJJXRGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-2-Methyl-4-propyl-1,3-oxathiane (CAS 67715-80-4), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: 2-methyl-4-propyl-1,3-oxathiane.
Chemical Property Profile of cis-2-Methyl-4-propyl-1,3-oxathiane
Property Insights of cis-2-Methyl-4-propyl-1,3-oxathiane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-Methyl-4-propyl-1,3-oxathiane. With a topological polar surface area (TPSA) of 34.5 Ų, cis-2-Methyl-4-propyl-1,3-oxathiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2-Methyl-4-propyl-1,3-oxathiane has 0 hydrogen bond donor(s) and 2 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 cis-2-Methyl-4-propyl-1,3-oxathiane?
The CAS number of cis-2-Methyl-4-propyl-1,3-oxathiane is 67715-80-4.
What is the molecular formula of cis-2-Methyl-4-propyl-1,3-oxathiane?
The molecular formula of cis-2-Methyl-4-propyl-1,3-oxathiane is C8H16OS.
What is the molecular weight of cis-2-Methyl-4-propyl-1,3-oxathiane?
The molecular weight of cis-2-Methyl-4-propyl-1,3-oxathiane is 160.09 g/mol.
Where can I buy cis-2-Methyl-4-propyl-1,3-oxathiane?
You can request a quote for cis-2-Methyl-4-propyl-1,3-oxathiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2-Methyl-4-propyl-1,3-oxathiane?
Yes, KEHONG BIO provides custom synthesis services for cis-2-Methyl-4-propyl-1,3-oxathiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.