Octyl 2-(1,1-dioxothiolan-3-yl)acetate
TL;DR: Octyl 2-(1,1-dioxothiolan-3-yl)acetate (CAS 25660-35-9) is a chemical compound with molecular formula C14H26O4S and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-(1,1-dioxothiolan-3-yl)acetate
Also Known As: Octyl 2-(1,1-dioxothiolan-3-yl)acetate, octyl (1,1-dioxidotetrahydro-3-thienyl)acetate
| Molecular Formula | C14H26O4S |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 2.7149 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 290.15518 |
| Heavy Atoms | 19 |
| Complexity | 361.64224 |
Chemical Identifiers
| CAS Number | 25660-35-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC1CCS(=O)(=O)C1 |
Product Overview
Octyl 2-(1,1-dioxothiolan-3-yl)acetate (CAS 25660-35-9), with molecular formula C14H26O4S and molecular weight 290.16 g/mol. IUPAC: octyl 2-(1,1-dioxothiolan-3-yl)acetate.
Chemical Property Profile of Octyl 2-(1,1-dioxothiolan-3-yl)acetate
Property Insights of Octyl 2-(1,1-dioxothiolan-3-yl)acetate
The XLogP value of 2.7149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octyl 2-(1,1-dioxothiolan-3-yl)acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl 2-(1,1-dioxothiolan-3-yl)acetate. Following Lipinski's Rule of Five, Octyl 2-(1,1-dioxothiolan-3-yl)acetate has 0 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 Octyl 2-(1,1-dioxothiolan-3-yl)acetate?
The CAS number of Octyl 2-(1,1-dioxothiolan-3-yl)acetate is 25660-35-9.
What is the molecular formula of Octyl 2-(1,1-dioxothiolan-3-yl)acetate?
The molecular formula of Octyl 2-(1,1-dioxothiolan-3-yl)acetate is C14H26O4S.
What is the molecular weight of Octyl 2-(1,1-dioxothiolan-3-yl)acetate?
The molecular weight of Octyl 2-(1,1-dioxothiolan-3-yl)acetate is 290.16 g/mol.
Where can I buy Octyl 2-(1,1-dioxothiolan-3-yl)acetate?
You can request a quote for Octyl 2-(1,1-dioxothiolan-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-(1,1-dioxothiolan-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-(1,1-dioxothiolan-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.