Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester
TL;DR: Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester (CAS 63538-11-4) is a chemical compound with molecular formula C32H46O6S and molecular weight 558.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[4-(1-ethoxy-1-oxooctan-2-yl)oxyphenyl]sulfanylphenoxy]octanoate
Also Known As: Diethyl 2,2'-(thiobis(4,1-phenyleneoxy))bisoctanoate, Thio-4,4' di(phenoxy-2 octanoate d'ethyle), Thio-4,4' di(phenoxy-2 octanoate d'ethyle) [French], Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester, Diethyl 2,2'-[sulfanediylbis(4,1-phenyleneoxy)]dioctanoate
| Molecular Formula | C32H46O6S |
|---|---|
| Molecular Weight | 558.30 g/mol |
| LogP | 8.3996 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 558.3015 |
| Heavy Atoms | 39 |
| Complexity | 866.63654 |
Chemical Identifiers
| CAS Number | 63538-11-4 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(CCCCCC)C(=O)OCC |
Product Overview
Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester (CAS 63538-11-4), with molecular formula C32H46O6S and molecular weight 558.30 g/mol. IUPAC: ethyl 2-[4-[4-(1-ethoxy-1-oxooctan-2-yl)oxyphenyl]sulfanylphenoxy]octanoate.
Chemical Property Profile of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester
Property Insights of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester
The XLogP value of 8.3996 indicates that Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester. Following Lipinski's Rule of Five, Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester?
The CAS number of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester is 63538-11-4.
What is the molecular formula of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester?
The molecular formula of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester is C32H46O6S.
What is the molecular weight of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester?
The molecular weight of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester is 558.30 g/mol.
Where can I buy Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester?
You can request a quote for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.