1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone (CAS 717827-75-3) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 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-ethoxyanilino)propan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxyanilino)propan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-[(4-ethoxyphenyl)amino]propan-1-one, 1-(Benzo[d][1,3]dioxol-5-yl)-3-((4-ethoxyphenyl)amino)propan-1-one, 1-(1,3-benzodioxol-5-yl)-3-[(4-ethoxyphenyl)amino]-1-propanone
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.4989 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 681.92096 |
Chemical Identifiers
| CAS Number | 717827-75-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NCCC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone (CAS 717827-75-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxyanilino)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone
The XLogP value of 3.4989 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-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-ethoxyanilino)-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-ethoxyanilino)-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-ethoxyanilino)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone is 717827-75-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone is C18H19NO4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone is 313.13 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-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-ethoxyanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(4-ethoxyanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.