1-(1,3-Benzodioxol-5-yl)butyl propanoate
TL;DR: 1-(1,3-Benzodioxol-5-yl)butyl propanoate (CAS 6412-99-3) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)butyl propanoate
Also Known As: 1-(1,3-benzodioxol-5-yl)butyl propanoate, 1-(2H-1,3-BENZODIOXOL-5-YL)BUTYL PROPANOATE
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 6412-99-3 |
|---|---|
| SMILES | CCCC(C1=CC2=C(C=C1)OCO2)OC(=O)CC |
| InChIKey | YPUCVHTZEMAMKX-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)butyl propanoate (CAS 6412-99-3), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)butyl propanoate.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)butyl propanoate
Property Insights of 1-(1,3-Benzodioxol-5-yl)butyl propanoate
The XLogP value of 3.2 indicates that 1-(1,3-Benzodioxol-5-yl)butyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(1,3-Benzodioxol-5-yl)butyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)butyl propanoate 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-(1,3-Benzodioxol-5-yl)butyl propanoate?
The CAS number of 1-(1,3-Benzodioxol-5-yl)butyl propanoate is 6412-99-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)butyl propanoate?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)butyl propanoate is C14H18O4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)butyl propanoate?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)butyl propanoate is 250.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)butyl propanoate?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)butyl propanoate 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)butyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)butyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.