3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
TL;DR: 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) (CAS 4644-61-5) is a chemical compound with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxopiperidine-3-carboxylate;hydrochloride
Also Known As: ETHYL 4-PIPERIDONE-3-CARBOXYLATE HYDROCHLORIDE, ethyl 4-oxopiperidine-3-carboxylate hydrochloride, Droperidol Impurity 8, Ethyl 4-oxopiperidine-3-carboxylate, 3-Carbethoxy-4-piperidone hydrochloride
| Molecular Formula | C8H14ClNO3 |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 0.15 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.06622 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 4644-61-5 |
|---|---|
| SMILES | CCOC(=O)C1CNCCC1=O.Cl |
| InChIKey | RTYXWLMQWSFXNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) (CAS 4644-61-5), with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol. IUPAC: ethyl 4-oxopiperidine-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
Property Insights of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
The XLogP value of 0.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1). With a topological polar surface area (TPSA) of 55.4 Ų, 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) 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
Frequently Asked Questions
What is the CAS number of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)?
The CAS number of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) is 4644-61-5.
What is the molecular formula of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)?
The molecular formula of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) is C8H14ClNO3.
What is the molecular weight of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)?
The molecular weight of 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) is 207.07 g/mol.
Where can I buy 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)?
You can request a quote for 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.