4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate
TL;DR: 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate (CAS 330972-66-2) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 1,3-benzodioxole-5-carboxylate
Also Known As: BAS 00301134, 4-formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate, (4-formyl-2-methoxyphenyl) 1,3-benzodioxole-5-carboxylate, 4-formyl-2-(methyloxy)phenyl 1,3-benzodioxole-5-carboxylate, Benzo[1,3]dioxole-5-carboxylic acid 4-formyl-2-methoxy-phenyl ester
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.4556 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 737.4111 |
Chemical Identifiers
| CAS Number | 330972-66-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate (CAS 330972-66-2), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate
Property Insights of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate
The XLogP value of 2.4556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 4-Formyl-2-methoxyphenyl 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 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate?
The CAS number of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate is 330972-66-2.
What is the molecular formula of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate is C16H12O6.
What is the molecular weight of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate is 300.06 g/mol.
Where can I buy 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 4-Formyl-2-methoxyphenyl 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 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.