3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
TL;DR: 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester (CAS 1052528-06-9) is a chemical compound with molecular formula C17H26ClNO5 and molecular weight 359.14996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-pyrrolidin-1-ylpropan-2-yl 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: 1-(PYRROLIDIN-1-YL)PROPAN-2-YL 3,4,5-TRIMETHOXYBENZOATE HYDROCHLORIDE, 1-pyrrolidin-1-ylpropan-2-yl 3,4,5-trimethoxybenzoate hydrochloride, 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
Technical Specifications
| Molecular Formula | C17H26ClNO5 |
| Molecular Weight | 359.14996 g/mol |
| XLogP | 2.7753 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.14996 Da |
| Heavy Atoms | 24 |
| Complexity | 358.0 |
| SMILES | CC(CN1CCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl |
| InChIKey | NDOMALOYJUSXFL-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
Property Insights of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
The XLogP value of 2.7753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester. With a topological polar surface area (TPSA) of 57.2 Ų, 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl 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 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester?
The CAS number of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester is 1052528-06-9.
What is the molecular formula of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester?
The molecular formula of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester is C17H26ClNO5.
What is the molecular weight of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester?
The molecular weight of 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester is 359.14996 g/mol.
Where can I buy 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester?
You can request a quote for 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3,4,5-Trimethoxy-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.