Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride
TL;DR: Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride (CAS 67031-86-1) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzoyloxypropyl-methyl-(4-phenylbutyl)azanium chloride
Also Known As: BENZOIC ACID, 3-(N-METHYL-N-(4-PHENYLBUTYL)AMINO)PROPYL ESTER, HYDROCHLORIDE, 3-benzoyloxypropyl-methyl-(4-phenylbutyl)azanium chloride, 1-Propanol, 3-[methyl(4-phenylbutyl)amino]-, benzoate (ester), hydrochloride
Technical Specifications
| Molecular Formula | C21H28ClNO2 |
| Molecular Weight | 361.18085 g/mol |
| XLogP | -0.22 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 361.18085 Da |
| Heavy Atoms | 25 |
| Complexity | 333.0 |
| SMILES | C[NH+](CCCCC1=CC=CC=C1)CCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | KNEBKPAADGTRIF-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride
Property Insights of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride
The XLogP value of -0.22 indicates that Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)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 30.7 Ų, Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride is 67031-86-1.
What is the molecular formula of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride is C21H28ClNO2.
What is the molecular weight of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride is 361.18085 g/mol.
Where can I buy Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)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-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.