2-bromo-N-(diethylcarbamothioyl)benzamide
TL;DR: 2-bromo-N-(diethylcarbamothioyl)benzamide (CAS 160627-83-8) is a chemical compound with molecular formula C12H15BrN2OS and molecular weight 314.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(diethylcarbamothioyl)benzamide
Also Known As: 2-bromo-N-(diethylcarbamothioyl)benzamide, 2-bromo-N-[(diethylamino)carbonothioyl]benzamide, N-[(diethylamino)thioxomethyl](2-bromophenyl)carboxamide
| Molecular Formula | C12H15BrN2OS |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 2.8056 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.00885 |
| Heavy Atoms | 17 |
| Complexity | 418.7216 |
Chemical Identifiers
| CAS Number | 160627-83-8 |
|---|---|
| SMILES | CCN(CC)C(=S)NC(=O)C1=CC=CC=C1Br |
Product Overview
2-bromo-N-(diethylcarbamothioyl)benzamide (CAS 160627-83-8), with molecular formula C12H15BrN2OS and molecular weight 314.01 g/mol. IUPAC: 2-bromo-N-(diethylcarbamothioyl)benzamide.
Chemical Property Profile of 2-bromo-N-(diethylcarbamothioyl)benzamide
Property Insights of 2-bromo-N-(diethylcarbamothioyl)benzamide
The XLogP value of 2.8056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-N-(diethylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 32.34 Ų, 2-bromo-N-(diethylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-(diethylcarbamothioyl)benzamide 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 2-bromo-N-(diethylcarbamothioyl)benzamide?
The CAS number of 2-bromo-N-(diethylcarbamothioyl)benzamide is 160627-83-8.
What is the molecular formula of 2-bromo-N-(diethylcarbamothioyl)benzamide?
The molecular formula of 2-bromo-N-(diethylcarbamothioyl)benzamide is C12H15BrN2OS.
What is the molecular weight of 2-bromo-N-(diethylcarbamothioyl)benzamide?
The molecular weight of 2-bromo-N-(diethylcarbamothioyl)benzamide is 314.01 g/mol.
Where can I buy 2-bromo-N-(diethylcarbamothioyl)benzamide?
You can request a quote for 2-bromo-N-(diethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(diethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(diethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.