RefChem:1075681
TL;DR: RefChem:1075681 (CAS 2893-42-7) is a chemical compound with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride
Also Known As: Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-4-piperidyl)methyl ester, hydrochloride, 2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-4-piperidyl)methyl ester hydrochloride, (1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride, (1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride, Acetic acid,ethoxydiphenyl-, (1-ethyl-4-piperidyl)methyl ester, hydrochloride (7CI,8CI)
| Molecular Formula | C24H32ClNO3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.20706 |
| Heavy Atoms | 29 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 2893-42-7 |
|---|---|
| SMILES | CC[NH+]1CCC(CC1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-] |
| InChIKey | KFKXXNRCHAGKAD-UHFFFAOYSA-N |
Product Overview
RefChem:1075681 (CAS 2893-42-7), with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol. IUPAC: (1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride.
Chemical Property Profile of RefChem:1075681
Property Insights of RefChem:1075681
The XLogP value of -0.17 indicates that RefChem:1075681 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1075681 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075681 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 RefChem:1075681?
The CAS number of RefChem:1075681 is 2893-42-7.
What is the molecular formula of RefChem:1075681?
The molecular formula of RefChem:1075681 is C24H32ClNO3.
What is the molecular weight of RefChem:1075681?
The molecular weight of RefChem:1075681 is 417.21 g/mol.
Where can I buy RefChem:1075681?
You can request a quote for RefChem:1075681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075681?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.