![Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- structure](/static/products/105/105077-31-4.png)
Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-
TL;DR: Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- (CAS 105077-31-4) is a chemical compound with molecular formula C18H28O3S and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutanoic acid
Also Known As: N-isobutyryltetrahydro-1,3-thiazine-2-thione, Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-, 4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutanoic acid, 4-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylbutanoic Acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]butanoic acid
| Molecular Formula | C18H28O3S |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 4.9441 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.1759 |
| Heavy Atoms | 22 |
| Complexity | 501.23886 |
Chemical Identifiers
| CAS Number | 105077-31-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC(=O)O |
Product Overview
Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- (CAS 105077-31-4), with molecular formula C18H28O3S and molecular weight 324.18 g/mol. IUPAC: 4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutanoic acid.
Chemical Property Profile of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-
Property Insights of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-
The XLogP value of 4.9441 indicates that Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- has 2 hydrogen bond donor(s) and 3 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 Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-?
The CAS number of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- is 105077-31-4.
What is the molecular formula of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-?
The molecular formula of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- is C18H28O3S.
What is the molecular weight of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-?
The molecular weight of Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- is 324.18 g/mol.
Where can I buy Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-?
You can request a quote for Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.