RefChem:349729
TL;DR: RefChem:349729 (CAS 14170-92-4) is a chemical compound with molecular formula C30H34ClNO5 and molecular weight 523.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: 1-(2-Hydroxyethyl)-4-phenylisonipecotic acid ethyl ester benzilate (ester) hydrochloride, 4-Piperidinecarboxylic acid, 1-(2-hydroxyethyl)-4-phenyl-, ethyl ester, benzilate HCl, Isonipecotic acid, 1-(2-hydroxyethyl)-4-phenyl-, ethyl ester, benzilate (ester), hydrochloride, 4-Piperidinecarboxylic acid, 1-[2-[(hydroxydiphenylacetyl)oxy]ethyl]-4-phenyl-, ethyl ester, hydrochloride, ethyl 1-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
| Molecular Formula | C30H34ClNO5 |
|---|---|
| Molecular Weight | 523.21 g/mol |
| LogP | -0.35 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 523.2125 |
| Heavy Atoms | 37 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 14170-92-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4.[Cl-] |
| InChIKey | WQKFEWLSHCXLMY-UHFFFAOYSA-N |
Product Overview
RefChem:349729 (CAS 14170-92-4), with molecular formula C30H34ClNO5 and molecular weight 523.21 g/mol. IUPAC: ethyl 1-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:349729
Property Insights of RefChem:349729
The XLogP value of -0.35 indicates that RefChem:349729 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349729. Following Lipinski's Rule of Five, RefChem:349729 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349729?
The CAS number of RefChem:349729 is 14170-92-4.
What is the molecular formula of RefChem:349729?
The molecular formula of RefChem:349729 is C30H34ClNO5.
What is the molecular weight of RefChem:349729?
The molecular weight of RefChem:349729 is 523.21 g/mol.
Where can I buy RefChem:349729?
You can request a quote for RefChem:349729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.