Piperonylic acid piperonyl ester
TL;DR: Piperonylic acid piperonyl ester (CAS 3005-52-5) 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.
1,3-benzodioxol-5-ylmethyl 1,3-benzodioxole-5-carboxylate
Also Known As: Piperonylic acid piperonyl ester, Piperonylicacidpiperonylester, 1,3-benzodioxol-5-ylmethyl 1,3-benzodioxole-5-carboxylate, AB00291432-02, AF-399/13740001
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.501 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 739.4111 |
Chemical Identifiers
| CAS Number | 3005-52-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
Piperonylic acid piperonyl ester (CAS 3005-52-5), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Piperonylic acid piperonyl ester
Property Insights of Piperonylic acid piperonyl ester
The XLogP value of 2.501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonylic acid piperonyl ester. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperonylic acid piperonyl ester. Following Lipinski's Rule of Five, Piperonylic acid piperonyl ester 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 Piperonylic acid piperonyl ester?
The CAS number of Piperonylic acid piperonyl ester is 3005-52-5.
What is the molecular formula of Piperonylic acid piperonyl ester?
The molecular formula of Piperonylic acid piperonyl ester is C16H12O6.
What is the molecular weight of Piperonylic acid piperonyl ester?
The molecular weight of Piperonylic acid piperonyl ester is 300.06 g/mol.
Where can I buy Piperonylic acid piperonyl ester?
You can request a quote for Piperonylic acid piperonyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonylic acid piperonyl ester?
Yes, KEHONG BIO provides custom synthesis services for Piperonylic acid piperonyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.