3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide
TL;DR: 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide (CAS 649719-04-0) is a chemical compound with molecular formula C17H17BrN2OS and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-N-(2-phenylethylcarbamothioyl)benzamide
Also Known As: 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide, AN-329/41830798, 3-bromo-4-methyl-N-(2-phenylethylcarbamothioyl)benzamide, F1618-0616, N-(3-bromo-4-methylbenzoyl)-N'-(2-phenylethyl)thiourea
| Molecular Formula | C17H17BrN2OS |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 3.60452 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0245 |
| Heavy Atoms | 22 |
| Complexity | 673.6141 |
Chemical Identifiers
| CAS Number | 649719-04-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)Br |
Product Overview
3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide (CAS 649719-04-0), with molecular formula C17H17BrN2OS and molecular weight 376.02 g/mol. IUPAC: 3-bromo-4-methyl-N-(2-phenylethylcarbamothioyl)benzamide.
Chemical Property Profile of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide
Property Insights of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide
The XLogP value of 3.60452 indicates that 3-bromo-4-methyl-N-(phenethylcarbamothioyl)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-methyl-N-(phenethylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide has 2 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 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide?
The CAS number of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide is 649719-04-0.
What is the molecular formula of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide?
The molecular formula of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide is C17H17BrN2OS.
What is the molecular weight of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide?
The molecular weight of 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide is 376.02 g/mol.
Where can I buy 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide?
You can request a quote for 3-bromo-4-methyl-N-(phenethylcarbamothioyl)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-methyl-N-(phenethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methyl-N-(phenethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.