![3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide structure](/static/products/6978/6978-48-9.webp)
3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide
TL;DR: 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide (CAS 6978-48-9) is a chemical compound with molecular formula C22H21BrN2OS and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide
Also Known As: 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide, 3-bromo-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide, 3-bromo-N-(naphthalen-1-ylthiocarbamoyl)-4-tert-butyl-benzamide
| Molecular Formula | C22H21BrN2OS |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 6.0266 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.0558 |
| Heavy Atoms | 27 |
| Complexity | 1018.99164 |
Chemical Identifiers
| CAS Number | 6978-48-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=CC=CC=C32)Br |
Product Overview
3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide (CAS 6978-48-9), with molecular formula C22H21BrN2OS and molecular weight 440.06 g/mol. IUPAC: 3-bromo-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide.
Chemical Property Profile of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide
Property Insights of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide
The XLogP value of 6.0266 indicates that 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide 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-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide?
The CAS number of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide is 6978-48-9.
What is the molecular formula of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide?
The molecular formula of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide is C22H21BrN2OS.
What is the molecular weight of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide?
The molecular weight of 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide is 440.06 g/mol.
Where can I buy 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide?
You can request a quote for 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-tert-butyl-N-[(naphthalen-1-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.