3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide
TL;DR: 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide (CAS 853-98-5) is a chemical compound with molecular formula C21H27NOS and molecular weight 341.18 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-phenylbenzenecarbothioamide
Also Known As: 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide, BAS 00619726, 3,5-Di-tert-butyl-4-hydroxythiobenzanilide, 4-Hydroxy-3,5-di-tert.-butyl-thiobenzanilid, 3,5-Di-tert-butyl-4-hydroxy-N-phenyl-thiobenzamide
| Molecular Formula | C21H27NOS |
|---|---|
| Molecular Weight | 341.18 g/mol |
| LogP | 5.7748 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.18134 |
| Heavy Atoms | 24 |
| Complexity | 701.66455 |
Chemical Identifiers
| CAS Number | 853-98-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC2=CC=CC=C2 |
Product Overview
3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide (CAS 853-98-5), with molecular formula C21H27NOS and molecular weight 341.18 g/mol. IUPAC: 3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarbothioamide.
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide
Property Insights of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide
The XLogP value of 5.7748 indicates that 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide has 2 hydrogen bond donor(s) and 2 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-phenylbenzene-1-carbothioamide?
The CAS number of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide is 853-98-5.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide is C21H27NOS.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide is 341.18 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide 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-phenylbenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxy-N-phenylbenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.