4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate
TL;DR: 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate (CAS 71173-06-3) is a chemical compound with molecular formula C26H34O4S and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-acetyloxy-2-tert-butyl-4-methylphenyl)sulfanyl-2-tert-butyl-6-methylphenyl] acetate
Also Known As: 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate, Sulfanediylbis(2-tert-butyl-6-methyl-3,1-phenylene) diacetate, [3-(3-acetyloxy-2-tert-butyl-4-methylphenyl)sulfanyl-2-tert-butyl-6-methylphenyl] acetate
| Molecular Formula | C26H34O4S |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.21777 |
| Heavy Atoms | 31 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 71173-06-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)SC2=C(C(=C(C=C2)C)OC(=O)C)C(C)(C)C)C(C)(C)C)OC(=O)C |
| InChIKey | REULFUACBRRVNK-UHFFFAOYSA-N |
Product Overview
4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate (CAS 71173-06-3), with molecular formula C26H34O4S and molecular weight 442.22 g/mol. IUPAC: [3-(3-acetyloxy-2-tert-butyl-4-methylphenyl)sulfanyl-2-tert-butyl-6-methylphenyl] acetate.
Chemical Property Profile of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate
Property Insights of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate
The XLogP value of 7.6 indicates that 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate. Following Lipinski's Rule of Five, 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate has 0 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 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate?
The CAS number of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate is 71173-06-3.
What is the molecular formula of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate?
The molecular formula of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate is C26H34O4S.
What is the molecular weight of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate?
The molecular weight of 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate is 442.22 g/mol.
Where can I buy 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate?
You can request a quote for 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiobis(o-cresol-6-tert-butyl)-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.