![Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate structure](/static/products/5477/547702-52-3.webp)
Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate
TL;DR: Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate (CAS 547702-52-3) is a chemical compound with molecular formula C27H22N2O5 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate
Also Known As: propyl 4-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)benzoate, propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate, propyl 4-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)benzoate, propyl 4-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carboxamido)benzoate, propyl 4-[(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-4-quinolyl)carbonylamino]benzo ate
| Molecular Formula | C27H22N2O5 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.4496 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.15286 |
| Heavy Atoms | 34 |
| Complexity | 1381.9323 |
Chemical Identifiers
| CAS Number | 547702-52-3 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 |
Product Overview
Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate (CAS 547702-52-3), with molecular formula C27H22N2O5 and molecular weight 454.15 g/mol. IUPAC: propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate.
Chemical Property Profile of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate
Property Insights of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate
The XLogP value of 5.4496 indicates that Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate?
The CAS number of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate is 547702-52-3.
What is the molecular formula of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate?
The molecular formula of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate is C27H22N2O5.
What is the molecular weight of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate?
The molecular weight of Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate is 454.15 g/mol.
Where can I buy Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate?
You can request a quote for Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.