Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride
TL;DR: Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride (CAS 101997-65-3) is a chemical compound with molecular formula C20H30ClNO4 and molecular weight 383.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-benzoyloxy-1-(3-methylbutyl)piperidine-3-carboxylate;hydrochloride
Also Known As: Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride, 3-Piperidinecarboxylic acid, 4-hydroxy-1-isopentyl-, ethyl ester, benzoate (ester), hydrochloride, ethyl 4-benzoyloxy-1-(3-methylbutyl)piperidine-3-carboxylate hydrochloride, Ethyl 4-(benzoyloxy)-1-(3-methylbutyl)piperidine-3-carboxylate--hydrogen chloride (1/1), RefChem:1068519
| Molecular Formula | C20H30ClNO4 |
|---|---|
| Molecular Weight | 383.19 g/mol |
| LogP | 3.5649 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.18634 |
| Heavy Atoms | 26 |
| Complexity | 564.18945 |
Chemical Identifiers
| CAS Number | 101997-65-3 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCC1OC(=O)C2=CC=CC=C2)CCC(C)C.Cl |
Product Overview
Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride (CAS 101997-65-3), with molecular formula C20H30ClNO4 and molecular weight 383.19 g/mol. IUPAC: ethyl 4-benzoyloxy-1-(3-methylbutyl)piperidine-3-carboxylate;hydrochloride.
Chemical Property Profile of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride
Property Insights of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride
The XLogP value of 3.5649 indicates that Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride?
The CAS number of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride is 101997-65-3.
What is the molecular formula of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride?
The molecular formula of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride is C20H30ClNO4.
What is the molecular weight of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride?
The molecular weight of Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride is 383.19 g/mol.
Where can I buy Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride?
You can request a quote for Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.