3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid
TL;DR: 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid (CAS 118806-81-8) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-4-phenylbutanoic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanoic acid, AJ-292/41083218, 3-(benzo[d][1,3]dioxol-5-yl)-4-phenylbutanoic acid, (+) 3-(benzo[d][1,3]dioxol-5-yl)-4-phenylbutanoic acid, Cambridge id 7000666
Technical Specifications
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.10486 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)CC(=O)O |
| InChIKey | ZIYPBRZAYCDRNU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid
Property Insights of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid
The XLogP value of 3.2 indicates that 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic 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
What is the CAS number of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid is 118806-81-8.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid is C17H16O4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid is 284.10486 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.