![N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide structure](/static/products/4288/428859-93-2.webp)
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 428859-93-2) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: AB00111510-01, N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 4.03312 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 919.6562 |
Chemical Identifiers
| CAS Number | 428859-93-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)O |
Product Overview
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 428859-93-2), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
The XLogP value of 4.03312 indicates that N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide has 3 hydrogen bond donor(s) and 5 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 N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is 428859-93-2.
What is the molecular formula of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is C19H21N3O4S.
What is the molecular weight of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is 387.13 g/mol.
Where can I buy N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.