![N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide structure](/static/products/6717/671794-53-9.webp)
N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide
TL;DR: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide (CAS 671794-53-9) is a chemical compound with molecular formula C20H23BrN2OS and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide
Also Known As: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide, AN-329/41770690, N-{[benzyl(methyl)amino]carbonothioyl}-3-bromo-4-tert-butylbenzamide, N-benzyl-N'-(3-bromo-4-tert-butylbenzoyl)-N-methylthiourea, [4-(tert-butyl)-3-bromophenyl]-N-{[methylbenzylamino]thioxomethyl}carboxamide
| Molecular Formula | C20H23BrN2OS |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 4.8933 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.07144 |
| Heavy Atoms | 25 |
| Complexity | 769.0108 |
Chemical Identifiers
| CAS Number | 671794-53-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)N(C)CC2=CC=CC=C2)Br |
Product Overview
N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide (CAS 671794-53-9), with molecular formula C20H23BrN2OS and molecular weight 418.07 g/mol. IUPAC: N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide.
Chemical Property Profile of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide
Property Insights of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide
The XLogP value of 4.8933 indicates that N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide has 1 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 N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide?
The CAS number of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide is 671794-53-9.
What is the molecular formula of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide?
The molecular formula of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide is C20H23BrN2OS.
What is the molecular weight of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide?
The molecular weight of N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide is 418.07 g/mol.
Where can I buy N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide?
You can request a quote for N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[benzyl(methyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.