Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride (CAS 108369-32-0) is a chemical compound with molecular formula C18H28ClNO5 and molecular weight 373.1656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid 3-piperidinopropyl ester hydrochloride, 1-Piperidinepropanol, 3,4,5-trimethoxybenzoate hydrochloride, 3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDE, 3-piperidin-1-ium-1-ylpropyl3,4,5-trimethoxybenzoate
Technical Specifications
| Molecular Formula | C18H28ClNO5 |
| Molecular Weight | 373.1656 g/mol |
| XLogP | -1.67 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.1656 Da |
| Heavy Atoms | 25 |
| Complexity | 358.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | WAWBZENAJROGJE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride
The XLogP value of -1.67 indicates that Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride is 108369-32-0.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride is C18H28ClNO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride is 373.1656 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.