Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)
TL;DR: Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) (CAS 33531-56-5) is a chemical compound with molecular formula C16H21ClN2O6 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethylpiperidin-1-ium-3-yl) N-(2-chlorophenyl)carbamate;2-hydroxy-2-oxoacetate
Also Known As: N-Ethyl-3-piperidinyl o-chlorocarbanilate oxalate, o-Chlorocarbanilic acid N-ethyl-2-piperidinyl ester oxalate, CARBANILIC ACID, o-CHLORO-, N-ETHYL-3-PIPERIDINYL ESTER, OXALATE, Carbanilic acid, o-chloro-, 1-ethyl-3-piperidyl ester, oxalate (1:1), (1-ethylpiperidin-1-ium-3-yl) N-(2-chlorophenyl)carbamate; 2-hydroxy-2-oxoacetate
| Molecular Formula | C16H21ClN2O6 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | -0.22 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.10883 |
| Heavy Atoms | 25 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 33531-56-5 |
|---|---|
| SMILES | CC[NH+]1CCCC(C1)OC(=O)NC2=CC=CC=C2Cl.C(=O)(C(=O)[O-])O |
| InChIKey | MCXQUAWISQTVDK-UHFFFAOYSA-N |
Product Overview
Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) (CAS 33531-56-5), with molecular formula C16H21ClN2O6 and molecular weight 372.11 g/mol. IUPAC: (1-ethylpiperidin-1-ium-3-yl) N-(2-chlorophenyl)carbamate;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)
Property Insights of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)
The XLogP value of -0.22 indicates that Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1). Following Lipinski's Rule of Five, Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) has 3 hydrogen bond donor(s) and 6 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 Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)?
The CAS number of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) is 33531-56-5.
What is the molecular formula of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)?
The molecular formula of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) is C16H21ClN2O6.
What is the molecular weight of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)?
The molecular weight of Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) is 372.11 g/mol.
Where can I buy Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)?
You can request a quote for Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.