Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate
TL;DR: Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate (CAS 101674-29-7) is a chemical compound with molecular formula C25H28BrNO3 and molecular weight 469.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium bromide
Also Known As: FC 649/A, (alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide benzilate, AMMONIUM, (alpha-(HYDROXYMETHYL)BENZYL)TRIMETHYL-, BROMIDE, BENZILATE, [2-(2-hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium;bromide, 2-{[hydroxy(diphenyl)acetyl]oxy}-n,n,n-trimethyl-1-phenylethanaminium bromide
| Molecular Formula | C25H28BrNO3 |
|---|---|
| Molecular Weight | 469.13 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.12527 |
| Heavy Atoms | 30 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 101674-29-7 |
|---|---|
| SMILES | C[N+](C)(C)C(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3.[Br-] |
| InChIKey | BCYDBPGWMVRSJM-UHFFFAOYSA-M |
Product Overview
Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate (CAS 101674-29-7), with molecular formula C25H28BrNO3 and molecular weight 469.13 g/mol. IUPAC: [2-(2-hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium bromide.
Chemical Property Profile of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate
Property Insights of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate has 1 hydrogen bond donor(s) and 4 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, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate?
The CAS number of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate is 101674-29-7.
What is the molecular formula of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate?
The molecular formula of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate is C25H28BrNO3.
What is the molecular weight of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate?
The molecular weight of Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate is 469.13 g/mol.
Where can I buy Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate?
You can request a quote for Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.