胡椒基丁醚
TL;DR: 胡椒基丁醚 (CAS 51-03-6) is a chemical compound with molecular formula C19H30O5 and molecular weight 338.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胡椒基丁醚
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
Also Known As: PIPERONYL BUTOXIDE, Butacide, Butocide, Butoxide, Piperonylbutoxide
| Molecular Formula | C19H30O5 |
|---|---|
| Molecular Weight | 338.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 338.20932 |
| Heavy Atoms | 24 |
| Complexity | 312.0 |
| Boiling Point | 180.0 °C at 1 mmHg |
| Density | 1.04 to 1.07 at 20.0 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 171.1 °C |
| Vapor Pressure | 0.00000026 [mmHg] |
| Refractive Index | 1.50 at 20 °C |
Chemical Identifiers
| CAS Number | 51-03-6 |
|---|---|
| SMILES | CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 |
| InChIKey | FIPWRIJSWJWJAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胡椒基丁醚 (CAS 51-03-6), with molecular formula C19H30O5 and molecular weight 338.21 g/mol. IUPAC: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole.
Chemical Property Profile of 胡椒基丁醚
Property Insights of 胡椒基丁醚
The XLogP value of 3.7 indicates that 胡椒基丁醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 胡椒基丁醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胡椒基丁醚 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 胡椒基丁醚?
The CAS number of 胡椒基丁醚 is 51-03-6.
What is the molecular formula of 胡椒基丁醚?
The molecular formula of 胡椒基丁醚 is C19H30O5.
What is the molecular weight of 胡椒基丁醚?
The molecular weight of 胡椒基丁醚 is 338.21 g/mol.
Where can I buy 胡椒基丁醚?
You can request a quote for 胡椒基丁醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胡椒基丁醚?
Yes, KEHONG BIO provides custom synthesis services for 胡椒基丁醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.