![4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid structure](/static/products/893/893780-69-3.png)
4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid
TL;DR: 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid (CAS 893780-69-3) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid
Also Known As: 4-[4-(1,3-benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid, AO-080/43441856, A4146/0176648, 4-{[4-(1,3-benzodioxol-5-yloxy)phenyl]amino}-4-oxobutanoic acid, 3-{[4-(2H-1,3-BENZODIOXOL-5-YLOXY)PHENYL]CARBAMOYL}PROPANOIC ACID
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.0109 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 756.17615 |
Chemical Identifiers
| CAS Number | 893780-69-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)CCC(=O)O |
Product Overview
4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid (CAS 893780-69-3), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid
Property Insights of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid
The XLogP value of 3.0109 indicates that 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid?
The CAS number of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid is 893780-69-3.
What is the molecular formula of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid?
The molecular formula of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid is C17H15NO6.
What is the molecular weight of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid?
The molecular weight of 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid is 329.09 g/mol.
Where can I buy 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid?
You can request a quote for 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1,3-Benzodioxol-5-yloxy)anilino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.