3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide
TL;DR: 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide (CAS 712318-97-3) 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.
3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide
Also Known As: 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide, AN-329/42581119, N-(3-bromo-4-methylbenzoyl)-N'-isopropylthiourea, N-(3-Bromo-4-methylbenzoyl)-N/'-isopropylthiourea, 3-bromo-N-[(isopropylamino)carbonothioyl]-4-methylbenzamide
| Molecular Formula | C12H15BrN2OS |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 2.77022 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.00885 |
| Heavy Atoms | 17 |
| Complexity | 446.1318 |
Chemical Identifiers
| CAS Number | 712318-97-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)C)Br |
Product Overview
3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide (CAS 712318-97-3), with molecular formula C12H15BrN2OS and molecular weight 314.01 g/mol. IUPAC: 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide
Property Insights of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide
The XLogP value of 2.77022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 41.13 Ų, 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-4-methyl-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 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
The CAS number of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide is 712318-97-3.
What is the molecular formula of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular formula of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide is C12H15BrN2OS.
What is the molecular weight of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular weight of 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide is 314.01 g/mol.
Where can I buy 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
You can request a quote for 3-bromo-4-methyl-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-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methyl-N-(propan-2-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.