3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) (CAS 67031-57-6) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.17578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-ium-1-yl)propyl 2-benzoylbenzoate chloride
Also Known As: o-Benzoylbenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, BENZOIC ACID, o-BENZOYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-benzoylbenzoate chloride, 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1), Benzoic acid, 2-benzoyl-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C23H28ClNO3 |
| Molecular Weight | 401.17578 g/mol |
| XLogP | -0.07 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.17578 Da |
| Heavy Atoms | 28 |
| Complexity | 486.0 |
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | GNNXZUUDKRWEKH-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)
The XLogP value of -0.07 indicates that 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) has 1 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 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) is 67031-57-6.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) is C23H28ClNO3.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) is 401.17578 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.