1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone (CAS 477333-83-8) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)propan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-1-propanone, 1-(Benzo[d][1,3]dioxol-5-yl)-3-((4-methoxyphenyl)amino)propan-1-one, 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)propan-1-one, 1-BENZYL-2-IMIDAZOLECARBOXYLIC ACID, 1-(2H-1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)amino]propan-1-one
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.1088 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 666.8592 |
Chemical Identifiers
| CAS Number | 477333-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCCC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone (CAS 477333-83-8), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone
The XLogP value of 3.1088 indicates that 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone has 1 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 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone is 477333-83-8.
What is the molecular formula of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone is C17H17NO4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone is 299.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-YL)-3-(4-methoxyanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.