3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide
TL;DR: 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide (CAS 112163-11-8) is a chemical compound with molecular formula C22H29NO2S and molecular weight 371.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide
Also Known As: BAS 00619728, 3,5-Di-tert-butyl-4-hydroxy-N-(4-methoxy-phenyl)-thiobenzamide, 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzothioamide, 2,6-bis(tert-butyl)-4-{[(4-methoxyphenyl)amino]thioxomethyl}phenol, 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide
| Molecular Formula | C22H29NO2S |
|---|---|
| Molecular Weight | 371.19 g/mol |
| LogP | 5.7834 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1919 |
| Heavy Atoms | 26 |
| Complexity | 761.36755 |
Chemical Identifiers
| CAS Number | 112163-11-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC2=CC=C(C=C2)OC |
Product Overview
3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide (CAS 112163-11-8), with molecular formula C22H29NO2S and molecular weight 371.19 g/mol. IUPAC: 3,5-ditert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide.
Chemical Property Profile of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide
Property Insights of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide
The XLogP value of 5.7834 indicates that 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide has 2 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-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide?
The CAS number of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide is 112163-11-8.
What is the molecular formula of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide?
The molecular formula of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide is C22H29NO2S.
What is the molecular weight of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide?
The molecular weight of 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide is 371.19 g/mol.
Where can I buy 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide?
You can request a quote for 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide 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-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.