3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate (CAS 17258-83-2) is a chemical compound with molecular formula C20H33NOS2 and molecular weight 367.20 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 N,N-diethylcarbamodithioate
Also Known As: AH-034/32855062, 3,5-di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate, 3,5-ditert-butyl-4-hydroxybenzyl diethyldithiocarbamate, 3,5-di-t-butyl-4-hydroxybenzyl N,N-diethyldithiocarbamate, (3,5-ditert-butyl-4-hydroxyphenyl)methyl N,N-diethylcarbamodithioate
| Molecular Formula | C20H33NOS2 |
|---|---|
| Molecular Weight | 367.20 g/mol |
| LogP | 5.8471 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.20035 |
| Heavy Atoms | 24 |
| Complexity | 543.2772 |
Chemical Identifiers
| CAS Number | 17258-83-2 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate (CAS 17258-83-2), with molecular formula C20H33NOS2 and molecular weight 367.20 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl)methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate
The XLogP value of 5.8471 indicates that 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate is 17258-83-2.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate is C20H33NOS2.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate is 367.20 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate 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-hydroxybenzyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.