2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate
TL;DR: 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate (CAS 868153-46-2) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
Also Known As: AB01302883-01, 2-(3-METHOXYPHENYL)-2-OXOETHYL 2H-1,3-BENZODIOXOLE-5-CARBOXYLATE, [2-(3-methoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate, 2-(3-methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate, F1732-0189
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.4636 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 752.49884 |
Chemical Identifiers
| CAS Number | 868153-46-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate (CAS 868153-46-2), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: [2-(3-methoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Property Insights of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate
The XLogP value of 2.4636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate 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 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate?
The CAS number of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate is 868153-46-2.
What is the molecular formula of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate is C17H14O6.
What is the molecular weight of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate is 314.08 g/mol.
Where can I buy 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxyphenyl)-2-oxoethyl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.