3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate (CAS 63147-28-4) is a chemical compound with molecular formula C17H26O3S and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-sulfanylacetate
Also Known As: DBHBT, Dbhbt [MI], 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate, 2-Mercaptoacetic acid (3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl ester, Acetic acid, 2-mercapto-, (3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl ester
| Molecular Formula | C17H26O3S |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 3.9602 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.16028 |
| Heavy Atoms | 21 |
| Complexity | 486.81235 |
Chemical Identifiers
| CAS Number | 63147-28-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC(=O)CS |
Product Overview
3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate (CAS 63147-28-4), with molecular formula C17H26O3S and molecular weight 310.16 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-sulfanylacetate.
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate
The XLogP value of 3.9602 indicates that 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate has 2 hydrogen bond donor(s) and 4 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 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate is 63147-28-4.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate is C17H26O3S.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate is 310.16 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzylthioglycollate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.