Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride
TL;DR: Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride (CAS 67049-61-0) is a chemical compound with molecular formula C18H26ClNO4 and molecular weight 355.15503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(3-benzoyloxypropyl)piperidin-1-ium-3-carboxylate chloride
Also Known As: gamma-3-Carbethoxypiperidinopropylbenzoate hydrochloride, BENZOIC ACID, 3-(3-ETHOXYCARBONYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, ethyl 1-(3-benzoyloxypropyl)piperidin-1-ium-3-carboxylate chloride, 3-Piperidinecarboxylic acid, 1-[3-(benzoyloxy)propyl]-, ethyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C18H26ClNO4 |
| Molecular Weight | 355.15503 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 355.15503 Da |
| Heavy Atoms | 24 |
| Complexity | 379.0 |
| SMILES | CCOC(=O)C1CCC[NH+](C1)CCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | RSMWXCGTJNGBDE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride
Property Insights of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride
The XLogP value of -1.9 indicates that Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride has 1 hydrogen bond donor(s) and 5 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-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride is 67049-61-0.
What is the molecular formula of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride is C18H26ClNO4.
What is the molecular weight of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride is 355.15503 g/mol.
Where can I buy Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-(3-ethoxycarbonylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.