Piperonyl butanolide
TL;DR: Piperonyl butanolide (CAS 107054-95-5) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Also Known As: piperonyl butanolide, 3-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one, alpha-(3,4-methylenedioxyphenylmethyl)-gamma-butyrolactone, 3-(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 107054-95-5 |
|---|---|
| SMILES | C1COC(=O)C1CC2=CC3=C(C=C2)OCO3 |
| InChIKey | VBWNJLDCIRGFAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperonyl butanolide (CAS 107054-95-5), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one.
Chemical Property Profile of Piperonyl butanolide
Property Insights of Piperonyl butanolide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonyl butanolide. With a topological polar surface area (TPSA) of 44.8 Ų, Piperonyl butanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperonyl butanolide 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 Piperonyl butanolide?
The CAS number of Piperonyl butanolide is 107054-95-5.
What is the molecular formula of Piperonyl butanolide?
The molecular formula of Piperonyl butanolide is C12H12O4.
What is the molecular weight of Piperonyl butanolide?
The molecular weight of Piperonyl butanolide is 220.07 g/mol.
Where can I buy Piperonyl butanolide?
You can request a quote for Piperonyl butanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonyl butanolide?
Yes, KEHONG BIO provides custom synthesis services for Piperonyl butanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.