Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)
TL;DR: Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) (CAS 63870-00-8) is a chemical compound with molecular formula C17H20BrNO2 and molecular weight 349.06775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[3-(3-methylbenzoyl)oxyphenyl]azanium bromide
Also Known As: Ro 2-2783, 3-(m-Toluoyloxy)phenyltrimethylammonium bromide, Ammonium, 3-(m-toluoyloxy)phenyltrimethyl-, bromide, trimethyl-[3-(3-methylbenzoyl)oxyphenyl]azanium bromide, AMMONIUM, (3-HYDROXYPHENYL)TRIMETHYL-, BROMIDE, m-TOLUATE (ester)
Technical Specifications
| Molecular Formula | C17H20BrNO2 |
| Molecular Weight | 349.06775 g/mol |
| XLogP | 0.41 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.06775 Da |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C.[Br-] |
| InChIKey | NSHIECYVKDXKIR-UHFFFAOYSA-M |
Chemical Property Profile of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)
Property Insights of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester). With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (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
What is the CAS number of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)?
The CAS number of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) is 63870-00-8.
What is the molecular formula of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)?
The molecular formula of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) is C17H20BrNO2.
What is the molecular weight of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)?
The molecular weight of Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) is 349.06775 g/mol.
Where can I buy Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)?
You can request a quote for Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)?
Yes, CoreyChem provides custom synthesis services for Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.