4-(1,3-Benzodioxol-5-yl)butanoic acid
TL;DR: 4-(1,3-Benzodioxol-5-yl)butanoic acid (CAS 41303-44-0) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)butanoic acid
Also Known As: 4-(1,3-benzodioxol-5-yl)butanoic acid, Maybridge3_000473, 3,4-Methylenedioxyphenylbutanoic acid, 4-(1,3-dioxaindan-5-yl)butanoic acid, 5-Butanoic acid 1,3-benzodioxole
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 41303-44-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCCC(=O)O |
| InChIKey | DOVMVBWTRNTJOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,3-Benzodioxol-5-yl)butanoic acid (CAS 41303-44-0), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)butanoic acid.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)butanoic acid
Property Insights of 4-(1,3-Benzodioxol-5-yl)butanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-yl)butanoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 4-(1,3-Benzodioxol-5-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)butanoic 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-(1,3-Benzodioxol-5-yl)butanoic acid?
The CAS number of 4-(1,3-Benzodioxol-5-yl)butanoic acid is 41303-44-0.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)butanoic acid?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)butanoic acid is C11H12O4.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)butanoic acid?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)butanoic acid is 208.07 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)butanoic acid?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.