Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate
TL;DR: Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate (CAS 6937-53-7) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate
Also Known As: ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate, ethyl (Z)-6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate, Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxo-5-hexenoate, Ethyl 6-(2H-1,3-benzodioxol-5-yl)-4-oxohex-5-enoate, ETHYL (Z)-6-BENZO[1,3]DIOXOL-5-YL-4-OXO-HEX-5-ENOATE
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 6937-53-7 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | DHWDWEXNPWBBQR-UHFFFAOYSA-N |
Product Overview
Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate (CAS 6937-53-7), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate.
Chemical Property Profile of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate
Property Insights of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate. Following Lipinski's Rule of Five, Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate has 0 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-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate?
The CAS number of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate is 6937-53-7.
What is the molecular formula of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate?
The molecular formula of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate is C15H16O5.
What is the molecular weight of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate?
The molecular weight of Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate is 276.10 g/mol.
Where can I buy Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate?
You can request a quote for Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.