Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate
TL;DR: Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate (CAS 148204-54-0) is a chemical compound with molecular formula C18H27NO3S and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3,5-ditert-butyl-4-hydroxybenzenecarbothioyl)carbamate
Also Known As: starbld0008851, Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate, Ethyl (3,5-di-tert-butyl-4-hydroxyphenylcarbonothioyl)carbamate, ethyl N-(3,5-ditert-butyl-4-hydroxybenzenecarbothioyl)carbamate, ethyl N-(3,5-ditert-butyl-4-hydroxy-benzenecarbothioyl)carbamate
| Molecular Formula | C18H27NO3S |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.4088 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.17117 |
| Heavy Atoms | 23 |
| Complexity | 574.66833 |
Chemical Identifiers
| CAS Number | 148204-54-0 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate (CAS 148204-54-0), with molecular formula C18H27NO3S and molecular weight 337.17 g/mol. IUPAC: ethyl N-(3,5-ditert-butyl-4-hydroxybenzenecarbothioyl)carbamate.
Chemical Property Profile of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate
Property Insights of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate
The XLogP value of 4.4088 indicates that Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate 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 Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate?
The CAS number of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate is 148204-54-0.
What is the molecular formula of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate?
The molecular formula of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate is C18H27NO3S.
What is the molecular weight of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate?
The molecular weight of Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate is 337.17 g/mol.
Where can I buy Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate?
You can request a quote for Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(3,5-di-tert-butyl-4-hydroxybenzenecarbothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.