Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide
TL;DR: Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide (CAS 3131-77-9) is a chemical compound with molecular formula C21H29BrN2O and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(3-phenylpropyl)azanium bromide
Also Known As: Dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)ammonium bromide, Benzenepropanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-dimethyl-, bromide, AMMONIUM, DIMETHYL(3-PHENYLPROPYL)((2,6-XYLYLCARBAMOYL)METHYL)-, BROMIDE, [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(3-phenylpropyl)azanium bromide, Benzenepropanaminium,N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-dimethyl-, bromide (9CI)
| Molecular Formula | C21H29BrN2O |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 0.96 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.14633 |
| Heavy Atoms | 25 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 3131-77-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CCCC2=CC=CC=C2.[Br-] |
| InChIKey | XNFIRDYGKUQDLN-UHFFFAOYSA-N |
Product Overview
Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide (CAS 3131-77-9), with molecular formula C21H29BrN2O and molecular weight 404.15 g/mol. IUPAC: [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(3-phenylpropyl)azanium bromide.
Chemical Property Profile of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide
Property Insights of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide
The XLogP value of 0.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide. With a topological polar surface area (TPSA) of 29.1 Ų, Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide has 1 hydrogen bond donor(s) and 2 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, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide?
The CAS number of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide is 3131-77-9.
What is the molecular formula of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide?
The molecular formula of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide is C21H29BrN2O.
What is the molecular weight of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide?
The molecular weight of Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide is 404.15 g/mol.
Where can I buy Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide?
You can request a quote for Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.