Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)
TL;DR: Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) (CAS 66941-43-3) is a chemical compound with molecular formula C20H34BrNO3 and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl-[3-(3-hydroxy-2-phenylpropanoyl)oxy-2,2-dimethylpropyl]azanium bromide
Also Known As: AMMONIUM, (2,2-DIMETHYL-3-HYDROXYPROPYL)TRIETHYL-, BROMIDE, TROPATE (ester), Tropasaeureester des 3-triaethylammonium-2,2-dimethyl-1-propanolbromid [German], Tropasaeureester des 3-triaethylammonium-2,2-dimethyl-1-propanolbromid, TRIETHYL-[3-(3-HYDROXY-2-PHENYLPROPANOYL)OXY-2,2-DIMETHYLPROPYL]AZANIUMBROMIDE, N,N,N-Triethyl-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-2,2-dimethylpropan-1-aminium bromide
| Molecular Formula | C20H34BrNO3 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 415.1722 |
| Heavy Atoms | 25 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 66941-43-3 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1.[Br-] |
| InChIKey | YJYXVCUHDCIEQL-UHFFFAOYSA-M |
Product Overview
Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) (CAS 66941-43-3), with molecular formula C20H34BrNO3 and molecular weight 415.17 g/mol. IUPAC: triethyl-[3-(3-hydroxy-2-phenylpropanoyl)oxy-2,2-dimethylpropyl]azanium bromide.
Chemical Property Profile of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)
Property Insights of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester). With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) 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, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)?
The CAS number of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) is 66941-43-3.
What is the molecular formula of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)?
The molecular formula of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) is C20H34BrNO3.
What is the molecular weight of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)?
The molecular weight of Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) is 415.17 g/mol.
Where can I buy Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)?
You can request a quote for Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.