![4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid structure](/static/products/127/127556-98-3.png)
4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid
TL;DR: 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid (CAS 127556-98-3) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yloxy)butanoic acid
Also Known As: 2-NaphCH2MgBr, starbld0021214, 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid, 4-(1,3-benzodioxol-5-yloxy)butanoic acid, 4-(2H-1,3-benzodioxol-5-yloxy)butanoic acid
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.6589 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 387.96136 |
Chemical Identifiers
| CAS Number | 127556-98-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCCCC(=O)O |
Product Overview
4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid (CAS 127556-98-3), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yloxy)butanoic acid.
Chemical Property Profile of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid
Property Insights of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid
The XLogP value of 1.6589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid. Following Lipinski's Rule of Five, 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid has 1 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 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid?
The CAS number of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid is 127556-98-3.
What is the molecular formula of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid?
The molecular formula of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid is C11H12O5.
What is the molecular weight of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid?
The molecular weight of 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid is 224.07 g/mol.
Where can I buy 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid?
You can request a quote for 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzo[1,3]dioxol-5-yloxy)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.