2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride
TL;DR: 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride (CAS 110246-50-9) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.17578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
Also Known As: 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride, Propionic acid, 2-phenoxy-, alpha-((isopropylmethylamino)methyl)benzyl ester, hydrochloride, [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate hydrochloride, 2-[Methyl(propan-2-yl)amino]-1-phenylethyl 2-phenoxypropanoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C21H28ClNO3 |
| Molecular Weight | 377.17578 g/mol |
| XLogP | 4.5004 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.17578 Da |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
| SMILES | CC(C)N(C)CC(C1=CC=CC=C1)OC(=O)C(C)OC2=CC=CC=C2.Cl |
| InChIKey | UAXGSWUXYJGCKH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride
Property Insights of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride
The XLogP value of 4.5004 indicates that 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride 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
What is the CAS number of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride?
The CAS number of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride is 110246-50-9.
What is the molecular formula of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride?
The molecular formula of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride is C21H28ClNO3.
What is the molecular weight of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride?
The molecular weight of 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride is 377.17578 g/mol.
Where can I buy 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride?
You can request a quote for 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-Phenoxypropionic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.