4-(1,3-Dithiolan-2-yl)phenyl octanoate
TL;DR: 4-(1,3-Dithiolan-2-yl)phenyl octanoate (CAS 331461-35-9) is a chemical compound with molecular formula C17H24O2S2 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)phenyl] octanoate
Also Known As: 4-(1,3-dithiolan-2-yl)phenyl octanoate, [4-(1,3-dithiolan-2-yl)phenyl] Octanoate, 4-(1,3-dithiolan-2-yl)phenyloctanoate, OCTANOIC ACID 4-(1,3)DITHIOLAN-2-YL-PHENYL ESTER
| Molecular Formula | C17H24O2S2 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 5.4311 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.12177 |
| Heavy Atoms | 21 |
| Complexity | 424.92117 |
Chemical Identifiers
| CAS Number | 331461-35-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)C2SCCS2 |
Product Overview
4-(1,3-Dithiolan-2-yl)phenyl octanoate (CAS 331461-35-9), with molecular formula C17H24O2S2 and molecular weight 324.12 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)phenyl] octanoate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)phenyl octanoate
Property Insights of 4-(1,3-Dithiolan-2-yl)phenyl octanoate
The XLogP value of 5.4311 indicates that 4-(1,3-Dithiolan-2-yl)phenyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(1,3-Dithiolan-2-yl)phenyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)phenyl octanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-Dithiolan-2-yl)phenyl octanoate?
The CAS number of 4-(1,3-Dithiolan-2-yl)phenyl octanoate is 331461-35-9.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl octanoate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl octanoate is C17H24O2S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl octanoate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl octanoate is 324.12 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)phenyl octanoate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)phenyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)phenyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)phenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.