Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-
TL;DR: Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- (CAS 63538-12-5) is a chemical compound with molecular formula C28H38O6S and molecular weight 502.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic acid
Also Known As: 2,2'-(Thiobis(4,1-phenyleneoxy))bisoctanoic acid, Acide thio-4,4' di(phenoxy-2 octanoique), Acide thio-4,4' di(phenoxy-2 octanoique) [French], Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-, 2,2'-[Sulfanediylbis(4,1-phenyleneoxy)]dioctanoic acid
| Molecular Formula | C28H38O6S |
|---|---|
| Molecular Weight | 502.24 g/mol |
| LogP | 7.4426 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 502.23892 |
| Heavy Atoms | 35 |
| Complexity | 807.82544 |
Chemical Identifiers
| CAS Number | 63538-12-5 |
|---|---|
| SMILES | CCCCCCC(C(=O)O)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(CCCCCC)C(=O)O |
Product Overview
Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- (CAS 63538-12-5), with molecular formula C28H38O6S and molecular weight 502.24 g/mol. IUPAC: 2-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic acid.
Chemical Property Profile of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-
Property Insights of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-
The XLogP value of 7.4426 indicates that Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-. Following Lipinski's Rule of Five, Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- has 2 hydrogen bond donor(s) and 5 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-?
The CAS number of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- is 63538-12-5.
What is the molecular formula of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-?
The molecular formula of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- is C28H38O6S.
What is the molecular weight of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-?
The molecular weight of Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- is 502.24 g/mol.
Where can I buy Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis-?
You can request a quote for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- 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-?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2,2'-(thiobis(4,1-phenyleneoxy))bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.