1-Oxa-6-thiacyclodeca-3,8-diyne
TL;DR: 1-Oxa-6-thiacyclodeca-3,8-diyne (CAS 127793-16-2) is a chemical compound with molecular formula C8H8OS and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxa-6-thiacyclodeca-3,8-diyne
Also Known As: 1-Oxa-6-thiacyclodeca-3,8-diyne, 3,4,8,9-tetradehydro-2,5,7,10-tetrahydro-1,6-oxathiecine, RefChem:232729
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 127793-16-2 |
|---|---|
| SMILES | C1C#CCSCC#CCO1 |
| InChIKey | NENVKWPSERARAT-UHFFFAOYSA-N |
Product Overview
1-Oxa-6-thiacyclodeca-3,8-diyne (CAS 127793-16-2), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: 1-oxa-6-thiacyclodeca-3,8-diyne.
Chemical Property Profile of 1-Oxa-6-thiacyclodeca-3,8-diyne
Property Insights of 1-Oxa-6-thiacyclodeca-3,8-diyne
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxa-6-thiacyclodeca-3,8-diyne. With a topological polar surface area (TPSA) of 34.5 Ų, 1-Oxa-6-thiacyclodeca-3,8-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-6-thiacyclodeca-3,8-diyne 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 1-Oxa-6-thiacyclodeca-3,8-diyne?
The CAS number of 1-Oxa-6-thiacyclodeca-3,8-diyne is 127793-16-2.
What is the molecular formula of 1-Oxa-6-thiacyclodeca-3,8-diyne?
The molecular formula of 1-Oxa-6-thiacyclodeca-3,8-diyne is C8H8OS.
What is the molecular weight of 1-Oxa-6-thiacyclodeca-3,8-diyne?
The molecular weight of 1-Oxa-6-thiacyclodeca-3,8-diyne is 152.03 g/mol.
Where can I buy 1-Oxa-6-thiacyclodeca-3,8-diyne?
You can request a quote for 1-Oxa-6-thiacyclodeca-3,8-diyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxa-6-thiacyclodeca-3,8-diyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxa-6-thiacyclodeca-3,8-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.