Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)
TL;DR: Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) (CAS 80171-71-7) is a chemical compound with molecular formula C20H30N2O7 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-piperidin-1-ium-1-ylethyl N-[2-(propoxymethyl)phenyl]carbamate
Also Known As: CARBANILIC ACID, o-(PROPOXYMETHYL)-, 2-PIPERIDINOETHYL ESTER, OXALATE (1:1), o-(Propoxymethyl)carbanilic acid 2-piperidinoethyl ester oxalate (1:1), 1-[2-({[2-(Propoxymethyl)phenyl]carbamoyl}oxy)ethyl]piperidin-1-ium hydrogen ethanedioate, 2-hydroxy-2-oxoacetate,2-piperidin-1-ium-1-ylethyl N-[2-(propoxymethyl)phenyl]carbamate, 2-hydroxy-2-oxoacetate; 2-piperidin-1-ium-1-ylethyl N-[2-(propoxymethyl)phenyl]carbamate
| Molecular Formula | C20H30N2O7 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.2053 |
| Heavy Atoms | 29 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 80171-71-7 |
|---|---|
| SMILES | CCCOCC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCC2.C(=O)(C(=O)[O-])O |
| InChIKey | XLYPTZOJCGJIPN-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) (CAS 80171-71-7), with molecular formula C20H30N2O7 and molecular weight 410.21 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-piperidin-1-ium-1-ylethyl N-[2-(propoxymethyl)phenyl]carbamate.
Chemical Property Profile of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)
Property Insights of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1). Following Lipinski's Rule of Five, Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) has 3 hydrogen bond donor(s) and 7 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 Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)?
The CAS number of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) is 80171-71-7.
What is the molecular formula of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)?
The molecular formula of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) is C20H30N2O7.
What is the molecular weight of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)?
The molecular weight of Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) is 410.21 g/mol.
Where can I buy Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)?
You can request a quote for Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.