Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate
TL;DR: Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate (CAS 33472-71-8) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethylpyrrolidin-1-ium-3-yl) N-(2-methylphenyl)carbamate;2-hydroxy-2-oxoacetate
Also Known As: o-Methylcarbanilic acid N-ethyl-3-pyrrolidinyl ester oxalate, Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate, Carbanilic acid, o-methyl-, 1-ethyl-3-pyrrolidinyl ester, oxalate (1:1), (1-ethylpyrrolidin-1-ium-3-yl) N-(2-methylphenyl)carbamate; 2-hydroxy-2-oxoacetate, RefChem:1081121
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 33472-71-8 |
|---|---|
| SMILES | CC[NH+]1CCC(C1)OC(=O)NC2=CC=CC=C2C.C(=O)(C(=O)[O-])O |
| InChIKey | KRMIFNSJPWRCNE-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate (CAS 33472-71-8), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: (1-ethylpyrrolidin-1-ium-3-yl) N-(2-methylphenyl)carbamate;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate
Property Insights of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate
The XLogP value of -0.96 indicates that Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate 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 Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate. Following Lipinski's Rule of Five, Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate 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 Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate?
The CAS number of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate is 33472-71-8.
What is the molecular formula of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate?
The molecular formula of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate is C16H22N2O6.
What is the molecular weight of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate?
The molecular weight of Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate is 338.15 g/mol.
Where can I buy Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate?
You can request a quote for Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate 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-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, o-methyl-, N-ethyl-3-pyrrolidinyl ester, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.