3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid
TL;DR: 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid (CAS 364339-01-5) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-3-phenylpropanoic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-3-phenylpropanoic acid, ChemDiv2_001407, 3-(Benzo[d][1,3]dioxol-5-yl)-3-phenylpropanoic acid, BAS 02081502, 3-(2H-1,3-benzodioxol-5-yl)-3-phenylpropanoic acid
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.0219 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 621.6289 |
Chemical Identifiers
| CAS Number | 364339-01-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)C3=CC=CC=C3 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid (CAS 364339-01-5), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid
Property Insights of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid
The XLogP value of 3.0219 indicates that 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid has 1 hydrogen bond donor(s) and 3 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 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid is 364339-01-5.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid is C16H14O4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid is 270.09 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.