![ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate structure](/static/products/5869/586992-06-5.webp)
ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
TL;DR: ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate (CAS 586992-06-5) is a chemical compound with molecular formula C23H20Cl2O7 and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate
Also Known As: ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate, ethyl 3-(6-chloro-7-((6-chlorobenzo[d][1,3]dioxol-5-yl)methoxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoate, ethyl 3-[6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate, ETHYL 3-{6-CHLORO-7-[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHOXY]-4-METHYL-2-OXO-2H-CHROMEN-3-YL}PROPANOATE
| Molecular Formula | C23H20Cl2O7 |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 5.21162 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.0586 |
| Heavy Atoms | 32 |
| Complexity | 1249.5491 |
Chemical Identifiers
| CAS Number | 586992-06-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC4=C(C=C3Cl)OCO4)Cl)C |
Product Overview
ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate (CAS 586992-06-5), with molecular formula C23H20Cl2O7 and molecular weight 478.06 g/mol. IUPAC: ethyl 3-[6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Property Insights of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
The XLogP value of 5.21162 indicates that ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate. Following Lipinski's Rule of Five, ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
The CAS number of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is 586992-06-5.
What is the molecular formula of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
The molecular formula of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is C23H20Cl2O7.
What is the molecular weight of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
The molecular weight of ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is 478.06 g/mol.
Where can I buy ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
You can request a quote for ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.