3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
TL;DR: 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide (CAS 791791-56-5) is a chemical compound with molecular formula C12H15BrN2O2S and molecular weight 330.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
Also Known As: 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide, N-(3-bromo-4-methoxybenzoyl)-N'-isopropylthiourea, AN-329/42581110, N-(3-Bromo-4-methoxybenzoyl)-N/'-isopropylthiourea, 3-bromo-N-[(isopropylamino)carbonothioyl]-4-methoxybenzamide
| Molecular Formula | C12H15BrN2O2S |
|---|---|
| Molecular Weight | 330.00 g/mol |
| LogP | 2.4704 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.00375 |
| Heavy Atoms | 18 |
| Complexity | 463.3907 |
Chemical Identifiers
| CAS Number | 791791-56-5 |
|---|---|
| SMILES | CC(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br |
Product Overview
3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide (CAS 791791-56-5), with molecular formula C12H15BrN2O2S and molecular weight 330.00 g/mol. IUPAC: 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
Property Insights of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
The XLogP value of 2.4704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 50.36 Ų, 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide has 2 hydrogen bond donor(s) and 3 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-methoxy-N-(propan-2-ylcarbamothioyl)benzamide?
The CAS number of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide is 791791-56-5.
What is the molecular formula of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular formula of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide is C12H15BrN2O2S.
What is the molecular weight of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular weight of 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide is 330.00 g/mol.
Where can I buy 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide?
You can request a quote for 3-bromo-4-methoxy-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 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.