W6XBV86LPT
TL;DR: W6XBV86LPT (CAS 1033-93-8) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate;hydrochloride
Also Known As: Ethyl 4-oxo-1-phenethylpiperidine-3-carboxylate hydrochloride, 3-Piperidinecarboxylic acid, 4-oxo-1-phenethyl-, hydrochloride, 3-Carbethoxy-1-(beta-phenethyl)-4-piperidone hydrochloride, ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate;hydrochloride, 3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)
| Molecular Formula | C16H22ClNO3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1288 |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 1033-93-8 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCC1=O)CCC2=CC=CC=C2.Cl |
| InChIKey | LMTQWMZJZQCHRG-UHFFFAOYSA-N |
Product Overview
W6XBV86LPT (CAS 1033-93-8), with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol. IUPAC: ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate;hydrochloride.
Chemical Property Profile of W6XBV86LPT
Property Insights of W6XBV86LPT
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for W6XBV86LPT. With a topological polar surface area (TPSA) of 46.6 Ų, W6XBV86LPT exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, W6XBV86LPT 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
Frequently Asked Questions
What is the CAS number of W6XBV86LPT?
The CAS number of W6XBV86LPT is 1033-93-8.
What is the molecular formula of W6XBV86LPT?
The molecular formula of W6XBV86LPT is C16H22ClNO3.
What is the molecular weight of W6XBV86LPT?
The molecular weight of W6XBV86LPT is 311.13 g/mol.
Where can I buy W6XBV86LPT?
You can request a quote for W6XBV86LPT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for W6XBV86LPT?
Yes, KEHONG BIO provides custom synthesis services for W6XBV86LPT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.