1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate
TL;DR: 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate (CAS 68844-96-2) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)butan-2-yl acetate
Also Known As: .alpha.-Methyl-1, acetate, 1, .alpha.-methyl-, acetate, 3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate, 4-(1,3-benzodioxol-5-yl)butan-2-yl acetate, alpha-Methyl-1,3-benzodioxole-5-propanol, acetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 68844-96-2 |
|---|---|
| SMILES | CC(CCC1=CC2=C(C=C1)OCO2)OC(=O)C |
| InChIKey | WPDTWMWIRBCOSB-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate (CAS 68844-96-2), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)butan-2-yl acetate.
Chemical Property Profile of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate
Property Insights of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-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 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate?
The CAS number of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate is 68844-96-2.
What is the molecular formula of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate?
The molecular formula of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate is C13H16O4.
What is the molecular weight of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate?
The molecular weight of 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate is 236.10 g/mol.
Where can I buy 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate?
You can request a quote for 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate 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-propanol, alpha-methyl-, 5-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.