Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide
TL;DR: Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide (CAS 64048-36-8) is a chemical compound with molecular formula C18H22BrNO2 and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-(3-phenoxycarbonylphenyl)azanium bromide
Also Known As: 3-Benzoyloxyphenyldiethylmethylammonium bromide, Ro 2-2788, diethyl-methyl-(3-phenoxycarbonylphenyl)azanium bromide, AMMONIUM, (3-BENZOYLOXY)PHENYLDIETHYLMETHYL-, BROMIDE, Benzenaminium, 3-(benzoyloxy)-N,N-diethyl-N-methyl-, bromide
| Molecular Formula | C18H22BrNO2 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 0.89 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.0834 |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 64048-36-8 |
|---|---|
| SMILES | CC[N+](C)(CC)C1=CC=CC(=C1)C(=O)OC2=CC=CC=C2.[Br-] |
| InChIKey | VSMAAVOHRLPPEX-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide (CAS 64048-36-8), with molecular formula C18H22BrNO2 and molecular weight 363.08 g/mol. IUPAC: diethyl-methyl-(3-phenoxycarbonylphenyl)azanium bromide.
Chemical Property Profile of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide
Property Insights of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide
The XLogP value of 0.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide 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, (3-benzoyloxy)phenyldiethylmethyl-, bromide?
The CAS number of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide is 64048-36-8.
What is the molecular formula of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide?
The molecular formula of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide is C18H22BrNO2.
What is the molecular weight of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide?
The molecular weight of Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide is 363.08 g/mol.
Where can I buy Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide?
You can request a quote for Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-benzoyloxy)phenyldiethylmethyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.