Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate
TL;DR: Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate (CAS 74053-95-5) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate
Also Known As: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate, methyl 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-oxopropanoate, J1.729.077K, Methyl 3-(2,3-dihydro-1,4-benzodioxine-2-yl)-3-oxopropanoate, 3-Oxo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propionic acid methyl ester
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.2036 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 452.20926 |
Chemical Identifiers
| CAS Number | 74053-95-5 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC2=C(C=C1)OCCO2 |
Product Overview
Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate (CAS 74053-95-5), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate
Property Insights of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate
The XLogP value of 1.2036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate. Following Lipinski's Rule of Five, Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate 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 Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate?
The CAS number of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate is 74053-95-5.
What is the molecular formula of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate?
The molecular formula of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate is C12H12O5.
What is the molecular weight of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate?
The molecular weight of Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate is 236.07 g/mol.
Where can I buy Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate?
You can request a quote for Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.