Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate
TL;DR: Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate (CAS 101710-56-9) is a chemical compound with molecular formula C21H36BrNO2 and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl-[3-(4-methyl-3-phenylpentanoyl)oxypropyl]azanium bromide
Also Known As: C 4303, AMMONIUM, (3-HYDROXYPROPYL)TRIETHYL-, BROMIDE, 3-METHYL-2-PHENYLVALERATE, 1-Propanaminium, 3-((3-methyl-2-phenylvaleryl)oxy)-N,N,N-triethyl-, bromide, n,n,n-triethyl-3-[(4-methyl-3-phenylpentanoyl)oxy]propan-1-aminium bromide, triethyl-[3-(4-methyl-3-phenylpentanoyl)oxypropyl]azanium bromide
| Molecular Formula | C21H36BrNO2 |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 1.63 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 413.19293 |
| Heavy Atoms | 25 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 101710-56-9 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCCOC(=O)CC(C1=CC=CC=C1)C(C)C.[Br-] |
| InChIKey | LBUPYMVDSBFGNN-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate (CAS 101710-56-9), with molecular formula C21H36BrNO2 and molecular weight 413.19 g/mol. IUPAC: triethyl-[3-(4-methyl-3-phenylpentanoyl)oxypropyl]azanium bromide.
Chemical Property Profile of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate
Property Insights of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate
The XLogP value of 1.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate 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-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate?
The CAS number of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate is 101710-56-9.
What is the molecular formula of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate?
The molecular formula of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate is C21H36BrNO2.
What is the molecular weight of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate?
The molecular weight of Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate is 413.19 g/mol.
Where can I buy Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate?
You can request a quote for Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-hydroxypropyl)triethyl-, bromide, 3-methyl-2-phenylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.