Isobutyl piperonylate
TL;DR: Isobutyl piperonylate (CAS 74098-26-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 1,3-benzodioxole-5-carboxylate
Also Known As: Isobutyl piperonylate, EINECS 277-714-6, 2-methylpropyl 1,3-benzodioxole-5-carboxylate, 2-METHYLPROPYL 2H-1,3-BENZODIOXOLE-5-CARBOXYLATE, 1,3-Benzodioxole-5-carboxylic acid 2-methylpropyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2281 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 398.00528 |
Chemical Identifiers
| CAS Number | 74098-26-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
Isobutyl piperonylate (CAS 74098-26-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-methylpropyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Isobutyl piperonylate
Property Insights of Isobutyl piperonylate
The XLogP value of 2.2281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl piperonylate. With a topological polar surface area (TPSA) of 44.76 Ų, Isobutyl piperonylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl piperonylate has 0 hydrogen bond donor(s) and 4 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 Isobutyl piperonylate?
The CAS number of Isobutyl piperonylate is 74098-26-3.
What is the molecular formula of Isobutyl piperonylate?
The molecular formula of Isobutyl piperonylate is C12H14O4.
What is the molecular weight of Isobutyl piperonylate?
The molecular weight of Isobutyl piperonylate is 222.09 g/mol.
Where can I buy Isobutyl piperonylate?
You can request a quote for Isobutyl piperonylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl piperonylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl piperonylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.