RefChem:318793
TL;DR: RefChem:318793 (CAS 67011-23-8) is a chemical compound with molecular formula C13H21BrN2O2 and molecular weight 316.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(dimethylcarbamoyloxy)-3-methylphenyl]-trimethylazanium bromide
Also Known As: Ro 2-2037, (2-Hydroxy-3-methylphenyl)trimethylammonium bromide dimethylcarbamate (ester), [2-(dimethylcarbamoyloxy)-3-methylphenyl]-trimethylazanium bromide, Ammonium, (2-hydroxy-3-methylphenyl)trimethyl-, bromide, dimethylcarbamate (ester), 2-[(DIMETHYLCARBAMOYL)OXY]-N,N,N,3-TETRAMETHYLANILINIUM BROMIDE
Technical Specifications
| Molecular Formula | C13H21BrN2O2 |
| Molecular Weight | 316.07864 g/mol |
| XLogP | -0.74 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.07864 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | CC1=C(C(=CC=C1)[N+](C)(C)C)OC(=O)N(C)C.[Br-] |
| InChIKey | AYXCGTMPOCCMNP-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:318793
Property Insights of RefChem:318793
The XLogP value of -0.74 indicates that RefChem:318793 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318793 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318793 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:318793?
The CAS number of RefChem:318793 is 67011-23-8.
What is the molecular formula of RefChem:318793?
The molecular formula of RefChem:318793 is C13H21BrN2O2.
What is the molecular weight of RefChem:318793?
The molecular weight of RefChem:318793 is 316.07864 g/mol.
Where can I buy RefChem:318793?
You can request a quote for RefChem:318793 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318793?
Yes, CoreyChem provides custom synthesis services for RefChem:318793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.