![Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate structure](/static/products/1008/1008941-66-9.webp)
Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
TL;DR: Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate (CAS 1008941-66-9) is a chemical compound with molecular formula C15H16Cl2N2O4S and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
Also Known As: BAS 01127790, BRD-A96700325-001-07-0, A3412/0144737, ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate, ethyl 6-(2-((3,4-dichlorophenyl)amino)-2-oxoethyl)-5-oxothiomorpholine-3-carboxylate
| Molecular Formula | C15H16Cl2N2O4S |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 2.4853 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.02078 |
| Heavy Atoms | 24 |
| Complexity | 656.36127 |
Chemical Identifiers
| CAS Number | 1008941-66-9 |
|---|---|
| SMILES | CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate (CAS 1008941-66-9), with molecular formula C15H16Cl2N2O4S and molecular weight 390.02 g/mol. IUPAC: ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate.
Chemical Property Profile of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
Property Insights of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
The XLogP value of 2.4853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate has 2 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 Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
The CAS number of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is 1008941-66-9.
What is the molecular formula of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
The molecular formula of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is C15H16Cl2N2O4S.
What is the molecular weight of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
The molecular weight of Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is 390.02 g/mol.
Where can I buy Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
You can request a quote for Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.