Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride
TL;DR: Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride (CAS 78329-88-1) is a chemical compound with molecular formula C22H35ClN2O3 and molecular weight 410.2336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride
Also Known As: C 3181, p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride, BENZOIC ACID, p-(N-BUTYL-2-(PIPERIDINO)ACETAMIDO)-, BUTYL ESTER, HYDROCHLORIDE, butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride, Benzoic acid, 4-[butyl(1-piperidinylacetyl)amino]-, butyl ester, monohydrochloride
Technical Specifications
| Molecular Formula | C22H35ClN2O3 |
| Molecular Weight | 410.2336 g/mol |
| XLogP | -0.15 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 410.2336 Da |
| Heavy Atoms | 28 |
| Complexity | 441.0 |
| SMILES | CCCCN(C1=CC=C(C=C1)C(=O)OCCCC)C(=O)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | LSITYJBLGLJVBD-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride
Property Insights of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride
The XLogP value of -0.15 indicates that Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.1 Ų, Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride 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 Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride?
The CAS number of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride is 78329-88-1.
What is the molecular formula of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride is C22H35ClN2O3.
What is the molecular weight of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride is 410.2336 g/mol.
Where can I buy Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.