4-Formylphenyl 1,3-benzodioxole-5-carboxylate
TL;DR: 4-Formylphenyl 1,3-benzodioxole-5-carboxylate (CAS 413581-17-6) is a chemical compound with molecular formula C15H10O5 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) 1,3-benzodioxole-5-carboxylate
Also Known As: 4-formylphenyl 1,3-benzodioxole-5-carboxylate, (4-formylphenyl) 1,3-benzodioxole-5-carboxylate, Benzo[1,3]dioxole-5-carboxylic acid 4-formyl-phenyl ester
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.447 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 660.4641 |
Chemical Identifiers
| CAS Number | 413581-17-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C=O |
Product Overview
4-Formylphenyl 1,3-benzodioxole-5-carboxylate (CAS 413581-17-6), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: (4-formylphenyl) 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate
Property Insights of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate
The XLogP value of 2.447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formylphenyl 1,3-benzodioxole-5-carboxylate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formylphenyl 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 4-Formylphenyl 1,3-benzodioxole-5-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 4-Formylphenyl 1,3-benzodioxole-5-carboxylate?
The CAS number of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate is 413581-17-6.
What is the molecular formula of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate is C15H10O5.
What is the molecular weight of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 4-Formylphenyl 1,3-benzodioxole-5-carboxylate is 270.05 g/mol.
Where can I buy 4-Formylphenyl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 4-Formylphenyl 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-Formylphenyl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylphenyl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.