Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)
TL;DR: Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) (CAS 63951-00-8) is a chemical compound with molecular formula C17H23NO6 and molecular weight 337.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-acetyloxy-5-[2-acetyloxy-2-(propan-2-ylamino)ethyl]phenyl] acetate
Also Known As: O-Triacetylorciprenaline, USAF K-1345, Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester), 5-[2-acetoxy-2-(isopropylamino)ethyl]-1,3-phenylene diacetate, 3,5-Bis(acetyloxy)-alpha-(isopropylamino)benzeneethanol acetate
Technical Specifications
| Molecular Formula | C17H23NO6 |
| Molecular Weight | 337.15253 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 337.15253 Da |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
| SMILES | CC(C)NC(CC1=CC(=CC(=C1)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | VLAPOICCOPIXJJ-UHFFFAOYSA-N |
Chemical Property Profile of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)
Property Insights of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester). The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester). Following Lipinski's Rule of Five, Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)?
The CAS number of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) is 63951-00-8.
What is the molecular formula of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)?
The molecular formula of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) is C17H23NO6.
What is the molecular weight of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)?
The molecular weight of Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) is 337.15253 g/mol.
Where can I buy Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)?
You can request a quote for Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester)?
Yes, CoreyChem provides custom synthesis services for Phenethylamine, N-isopropyl-alpha,3,5-trihydroxy-, triacetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.