Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride
TL;DR: Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride (CAS 101468-12-6) is a chemical compound with molecular formula C18H24ClNO3 and molecular weight 337.14447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylic acid chloride
Also Known As: 3-(2-Methylpiperidino)propyl ester of coumarilic acid hydrochloride, COUMARILIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, MONOHYDROCHLORIDE, 3-[3-(2-Methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylicacid chloride, 1-[3-(2-carboxy-1-benzofuran-3-yl)propyl]-2-methylpiperidinium chloride, 3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylicacid
Technical Specifications
| Molecular Formula | C18H24ClNO3 |
| Molecular Weight | 337.14447 g/mol |
| XLogP | -0.48 |
| Topological Polar Surface Area (TPSA) | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.14447 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | CC1CCCC[NH+]1CCCC2=C(OC3=CC=CC=C32)C(=O)O.[Cl-] |
| InChIKey | DRCDFPKDCUHBLG-UHFFFAOYSA-N |
Chemical Property Profile of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride
Property Insights of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride
The XLogP value of -0.48 indicates that Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride has 2 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 Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride?
The CAS number of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride is 101468-12-6.
What is the molecular formula of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride?
The molecular formula of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride is C18H24ClNO3.
What is the molecular weight of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride?
The molecular weight of Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride is 337.14447 g/mol.
Where can I buy Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride?
You can request a quote for Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.