1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate
TL;DR: 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate (CAS 58344-19-7) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] acetate
Also Known As: D 724, 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol acetate, 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate, Acetate de ((methylenedioxy-3,4-phenyl)-1 dimethyl-4,4 pentene-1) yle-3 [French], Acetate de ((methylenedioxy-3,4-phenyl)-1 dimethyl-4,4 pentene-1) yle-3
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.4063 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 525.7687 |
Chemical Identifiers
| CAS Number | 58344-19-7 |
|---|---|
| SMILES | CC(=O)OC(/C=C/C1=CC2=C(C=C1)OCO2)C(C)(C)C |
Product Overview
1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate (CAS 58344-19-7), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: [(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] acetate.
Chemical Property Profile of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate
Property Insights of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate
The XLogP value of 3.4063 indicates that 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate 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 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate?
The CAS number of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate is 58344-19-7.
What is the molecular formula of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate?
The molecular formula of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate is C16H20O4.
What is the molecular weight of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate?
The molecular weight of 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate is 276.14 g/mol.
Where can I buy 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate?
You can request a quote for 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.