2-bromo-N-(propan-2-ylcarbamothioyl)benzamide
TL;DR: 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide (CAS 791791-68-9) is a chemical compound with molecular formula C11H13BrN2OS and molecular weight 299.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(propan-2-ylcarbamothioyl)benzamide
Also Known As: 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide, N-(2-bromobenzoyl)-N'-isopropylthiourea, 2-bromo-N-[(isopropylamino)carbonothioyl]benzamide, AN-329/42581132
| Molecular Formula | C11H13BrN2OS |
|---|---|
| Molecular Weight | 299.99 g/mol |
| LogP | 2.4618 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.9932 |
| Heavy Atoms | 16 |
| Complexity | 406.72595 |
Chemical Identifiers
| CAS Number | 791791-68-9 |
|---|---|
| SMILES | CC(C)NC(=S)NC(=O)C1=CC=CC=C1Br |
Product Overview
2-bromo-N-(propan-2-ylcarbamothioyl)benzamide (CAS 791791-68-9), with molecular formula C11H13BrN2OS and molecular weight 299.99 g/mol. IUPAC: 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide
Property Insights of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide
The XLogP value of 2.4618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 41.13 Ų, 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-(propan-2-ylcarbamothioyl)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 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide?
The CAS number of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide is 791791-68-9.
What is the molecular formula of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular formula of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide is C11H13BrN2OS.
What is the molecular weight of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular weight of 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide is 299.99 g/mol.
Where can I buy 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide?
You can request a quote for 2-bromo-N-(propan-2-ylcarbamothioyl)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-(propan-2-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(propan-2-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.