1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-
TL;DR: 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- (CAS 63282-85-9) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylbut-2-enoxy)-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-, KST-1B6846, 5-(3-methylbut-2-enoxy)-1,3-benzodioxole, 5-(3-methylbut-2-enoxy)benzo[1,3]dioxole, o-Veratric acid, 2-piperidinoethyl ester, hydrochloride
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 63282-85-9 |
|---|---|
| SMILES | CC(=CCOC1=CC2=C(C=C1)OCO2)C |
| InChIKey | XNFNSBSRZUECND-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- (CAS 63282-85-9), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 5-(3-methylbut-2-enoxy)-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-
Property Insights of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-
The XLogP value of 3.1 indicates that 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- has 0 hydrogen bond donor(s) and 3 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 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-?
The CAS number of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- is 63282-85-9.
What is the molecular formula of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-?
The molecular formula of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- is C12H14O3.
What is the molecular weight of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-?
The molecular weight of 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- is 206.09 g/mol.
Where can I buy 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-?
You can request a quote for 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-((3-methyl-2-butenyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.