Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate
TL;DR: Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate (CAS 73664-07-0) is a chemical compound with molecular formula C18H30INO2 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[3-(2-phenylbutanoyloxy)propyl]azanium iodide
Also Known As: Diethyl(3-hydroxypropyl)methyl ammonium iodide, 2-phenylbutyrate, AMMONIUM, DIETHYL(3-HYDROXYPROPYL)METHYL-, IODIDE, 2-PHENYLBUTYRATE, alpha-Phenyl-butyrate du diethylamino-propanol iodomethylate, alpha-Phenyl-butyrate du diethylamino-propanol iodomethylate [French], diethyl-methyl-[3-(2-phenylbutanoyloxy)propyl]azanium iodide
| Molecular Formula | C18H30INO2 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.13214 |
| Heavy Atoms | 22 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 73664-07-0 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCCC[N+](C)(CC)CC.[I-] |
| InChIKey | ADOMOBOBDDVOLP-UHFFFAOYSA-M |
Product Overview
Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate (CAS 73664-07-0), with molecular formula C18H30INO2 and molecular weight 419.13 g/mol. IUPAC: diethyl-methyl-[3-(2-phenylbutanoyloxy)propyl]azanium iodide.
Chemical Property Profile of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate
Property Insights of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate 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, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate?
The CAS number of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate is 73664-07-0.
What is the molecular formula of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate?
The molecular formula of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate is C18H30INO2.
What is the molecular weight of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate?
The molecular weight of Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate is 419.13 g/mol.
Where can I buy Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate?
You can request a quote for Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.