Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate
TL;DR: Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate (CAS 50835-95-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate
Also Known As: Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate, hsp90_145, ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate, Ethyl(2-methyl-1,3-benzodioxol-2-yl)acetate, J1.028.357D
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 50835-95-5 |
|---|---|
| SMILES | CCOC(=O)CC1(OC2=CC=CC=C2O1)C |
| InChIKey | ANOXFMUKNSMTSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate (CAS 50835-95-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate.
Chemical Property Profile of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate
Property Insights of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate has 0 hydrogen bond donor(s) and 4 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 2-methyl-1,3-benzodioxole-2-ethanoate?
The CAS number of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate is 50835-95-5.
What is the molecular formula of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate?
The molecular formula of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate is C12H14O4.
What is the molecular weight of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate?
The molecular weight of Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate is 222.09 g/mol.
Where can I buy Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate?
You can request a quote for Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-1,3-benzodioxole-2-ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.