1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride
TL;DR: 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride (CAS 1877-25-4) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2-piperidin-1-ylbutanoate;hydrochloride
Also Known As: FC 442, alpha-Ethyl-1-piperidineacetic acid 2,6-xylyl ester hydrochloride, 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride, 2,6-Dimethylphenyl 2-(1-piperidinyl)butanoate hydrochloride, 2,6-dimethylphenyl 2-(piperidin-1-yl)butanoate hydrochloride(1:1)
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 1877-25-4 |
|---|---|
| SMILES | CCC(C(=O)OC1=C(C=CC=C1C)C)N2CCCCC2.Cl |
| InChIKey | AJFNJQVEKUQXFD-UHFFFAOYSA-N |
Product Overview
1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride (CAS 1877-25-4), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: (2,6-dimethylphenyl) 2-piperidin-1-ylbutanoate;hydrochloride.
Chemical Property Profile of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride
Property Insights of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride
The XLogP value of 3.9 indicates that 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl 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
Frequently Asked Questions
What is the CAS number of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride?
The CAS number of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride is 1877-25-4.
What is the molecular formula of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride?
The molecular formula of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride is C17H26ClNO2.
What is the molecular weight of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride?
The molecular weight of 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride is 311.17 g/mol.
Where can I buy 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride?
You can request a quote for 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.