Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)
TL;DR: Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) (CAS 66967-87-1) is a chemical compound with molecular formula C12H19BrN2O2 and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
Also Known As: Ro 2-0925, (2-Hydroxyphenyl)trimethylammonium bromide dimethylcarbamate (ester), [2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide, AMMONIUM, (2-HYDROXYPHENYL)TRIMETHYL-, BROMIDE, DIMETHYLCARBAMATE (ester), 2-[(DIMETHYLCARBAMOYL)OXY]-N,N,N-TRIMETHYLANILINIUM BROMIDE
| Molecular Formula | C12H19BrN2O2 |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | -1.05 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.063 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 66967-87-1 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC=C1[N+](C)(C)C.[Br-] |
| InChIKey | YFNDHXKEDHTVOV-UHFFFAOYSA-M |
Product Overview
Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) (CAS 66967-87-1), with molecular formula C12H19BrN2O2 and molecular weight 302.06 g/mol. IUPAC: [2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide.
Chemical Property Profile of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)
Property Insights of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)
The XLogP value of -1.05 indicates that Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) 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, Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) 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
Frequently Asked Questions
What is the CAS number of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)?
The CAS number of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) is 66967-87-1.
What is the molecular formula of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)?
The molecular formula of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) is C12H19BrN2O2.
What is the molecular weight of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)?
The molecular weight of Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) is 302.06 g/mol.
Where can I buy Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)?
You can request a quote for Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.