2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 503541-33-1) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Also Known As: 2-(4-methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate, [2-(4-methylphenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.80592 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 733.5772 |
Chemical Identifiers
| CAS Number | 503541-33-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3 |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 503541-33-1), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
The XLogP value of 2.80592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate 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 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 503541-33-1.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is C18H16O5.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 312.10 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.