![4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide structure](/static/products/1119/1119391-85-3.webp)
4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide (CAS 1119391-85-3) is a chemical compound with molecular formula C22H25N3OS and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide
Also Known As: 1-(4-(TERT-BUTYL)BENZOYL)-3-(2-INDOL-3-YLETHYL)THIOUREA, 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide, 1-(4-tert-butylbenzoyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea, N-[2-(1H-indol-3-yl)ethylthiocarbamoyl]-4-tert-butyl-benzamide
| Molecular Formula | C22H25N3OS |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 4.3124 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.17184 |
| Heavy Atoms | 27 |
| Complexity | 951.5984 |
Chemical Identifiers
| CAS Number | 1119391-85-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide (CAS 1119391-85-3), with molecular formula C22H25N3OS and molecular weight 379.17 g/mol. IUPAC: 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide
The XLogP value of 4.3124 indicates that 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.92 Ų, 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide has 3 hydrogen bond donor(s) and 2 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 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide is 1119391-85-3.
What is the molecular formula of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide is C22H25N3OS.
What is the molecular weight of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide is 379.17 g/mol.
Where can I buy 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[2-(1H-indol-3-yl)ethylcarbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.