Ibuprofen dimethyl aminoethanol octyl
TL;DR: Ibuprofen dimethyl aminoethanol octyl (CAS 13410-61-2) is a chemical compound with molecular formula C25H44BrNO2 and molecular weight 469.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]-octylazanium bromide
Also Known As: Ibuprofen dimethyl aminoethanol octyl, AF-150 (onium compound), AF150, dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]-octylazanium;bromide, n,n-dimethyl-n-[2-({2-[4-(2-methylpropyl)phenyl]propanoyl}oxy)ethyl]octan-1-aminium bromide
| Molecular Formula | C25H44BrNO2 |
|---|---|
| Molecular Weight | 469.26 g/mol |
| LogP | 2.9727 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 469.25555 |
| Heavy Atoms | 29 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 13410-61-2 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C.[Br-] |
| InChIKey | DTGYJWMLFMGLOM-UHFFFAOYSA-M |
Product Overview
Ibuprofen dimethyl aminoethanol octyl (CAS 13410-61-2), with molecular formula C25H44BrNO2 and molecular weight 469.26 g/mol. IUPAC: dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]-octylazanium bromide.
Chemical Property Profile of Ibuprofen dimethyl aminoethanol octyl
Property Insights of Ibuprofen dimethyl aminoethanol octyl
The XLogP value of 2.9727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ibuprofen dimethyl aminoethanol octyl. With a topological polar surface area (TPSA) of 26.3 Ų, Ibuprofen dimethyl aminoethanol octyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibuprofen dimethyl aminoethanol octyl 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 Ibuprofen dimethyl aminoethanol octyl?
The CAS number of Ibuprofen dimethyl aminoethanol octyl is 13410-61-2.
What is the molecular formula of Ibuprofen dimethyl aminoethanol octyl?
The molecular formula of Ibuprofen dimethyl aminoethanol octyl is C25H44BrNO2.
What is the molecular weight of Ibuprofen dimethyl aminoethanol octyl?
The molecular weight of Ibuprofen dimethyl aminoethanol octyl is 469.26 g/mol.
Where can I buy Ibuprofen dimethyl aminoethanol octyl?
You can request a quote for Ibuprofen dimethyl aminoethanol octyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibuprofen dimethyl aminoethanol octyl?
Yes, KEHONG BIO provides custom synthesis services for Ibuprofen dimethyl aminoethanol octyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.