1-Oxa-4-thiaspiro(4.4)nonane
TL;DR: 1-Oxa-4-thiaspiro(4.4)nonane (CAS 176-38-5) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxa-4-thiaspiro[4.4]nonane
Also Known As: 1-Oxa-4-thiaspiro[4.4]nonane, 1-Oxa-4-thiaspiro(4.4)nonane, Cyclopentanone O,S-ethylenethioacetal, 6-oxa-9-thiaspiro[4.4]nonane, Cyclopentanon-ethylenmonothioketal
| Molecular Formula | C7H12OS |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 176-38-5 |
|---|---|
| SMILES | C1CCC2(C1)OCCS2 |
| InChIKey | AGDQMFKRKWUWTF-UHFFFAOYSA-N |
Product Overview
1-Oxa-4-thiaspiro(4.4)nonane (CAS 176-38-5), with molecular formula C7H12OS and molecular weight 144.06 g/mol. IUPAC: 1-oxa-4-thiaspiro[4.4]nonane.
Chemical Property Profile of 1-Oxa-4-thiaspiro(4.4)nonane
Property Insights of 1-Oxa-4-thiaspiro(4.4)nonane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxa-4-thiaspiro(4.4)nonane. With a topological polar surface area (TPSA) of 34.5 Ų, 1-Oxa-4-thiaspiro(4.4)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-4-thiaspiro(4.4)nonane 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-4-thiaspiro(4.4)nonane?
The CAS number of 1-Oxa-4-thiaspiro(4.4)nonane is 176-38-5.
What is the molecular formula of 1-Oxa-4-thiaspiro(4.4)nonane?
The molecular formula of 1-Oxa-4-thiaspiro(4.4)nonane is C7H12OS.
What is the molecular weight of 1-Oxa-4-thiaspiro(4.4)nonane?
The molecular weight of 1-Oxa-4-thiaspiro(4.4)nonane is 144.06 g/mol.
Where can I buy 1-Oxa-4-thiaspiro(4.4)nonane?
You can request a quote for 1-Oxa-4-thiaspiro(4.4)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxa-4-thiaspiro(4.4)nonane?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxa-4-thiaspiro(4.4)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.