2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
TL;DR: 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS 6610-58-8) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
Also Known As: 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate, [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.87912 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 817.5989 |
Chemical Identifiers
| CAS Number | 6610-58-8 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)COC(=O)C2COC3=CC=CC=C3O2)C |
Product Overview
2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS 6610-58-8), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate.
Chemical Property Profile of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Property Insights of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
The XLogP value of 2.87912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate. Following Lipinski's Rule of Five, 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
The CAS number of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate is 6610-58-8.
What is the molecular formula of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
The molecular formula of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate is C20H21NO5.
What is the molecular weight of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
The molecular weight of 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate is 355.14 g/mol.
Where can I buy 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
You can request a quote for 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethyl-6-methylanilino)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.