Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate
TL;DR: Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate (CAS 5629-89-0) is a chemical compound with molecular formula C18H18Cl2O6 and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate
Also Known As: diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate, diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedio, Diethyl (3,6-dichloro-2-oxo-2H-1-benzopyran-4-yl)(ethyl)propanedioate
| Molecular Formula | C18H18Cl2O6 |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.04803 |
| Heavy Atoms | 26 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 5629-89-0 |
|---|---|
| SMILES | CCC(C1=C(C(=O)OC2=C1C=C(C=C2)Cl)Cl)(C(=O)OCC)C(=O)OCC |
| InChIKey | MVUUNMYCPLGYHV-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate (CAS 5629-89-0), with molecular formula C18H18Cl2O6 and molecular weight 400.05 g/mol. IUPAC: diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate.
Chemical Property Profile of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate
Property Insights of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate
The XLogP value of 4.3 indicates that Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate. Following Lipinski's Rule of Five, Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate has 0 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 Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate?
The CAS number of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate is 5629-89-0.
What is the molecular formula of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate?
The molecular formula of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate is C18H18Cl2O6.
What is the molecular weight of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate?
The molecular weight of Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate is 400.05 g/mol.
Where can I buy Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate?
You can request a quote for Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3,6-dichloro-2-oxochromen-4-yl)-2-ethylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.