1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol
TL;DR: 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol (CAS 6638-32-0) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)but-3-en-1-ol
Also Known As: 1-(1,3-benzodioxol-5-yl)but-3-en-1-ol, 1-(Benzo[d][1,3]dioxol-5-yl)but-3-en-1-ol, 4-[3,4-(Methylenedioxy)phenyl]-1-buten-4-ol, alpha-Allyl-1,3-benzodioxole-5-methanol, 3-Methyl-4-phenyl-buten-(3)-saeure-(1)
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6638-32-0 |
|---|---|
| SMILES | C=CCC(C1=CC2=C(C=C1)OCO2)O |
| InChIKey | QFBKADULYGBKQY-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol (CAS 6638-32-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)but-3-en-1-ol.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol
Property Insights of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol has 1 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-(1,3-Benzodioxol-5-yl)but-3-en-1-ol?
The CAS number of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol is 6638-32-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol is C11H12O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol is 192.08 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.