![Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate structure](/static/products/7178/717862-31-2.webp)
Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate
TL;DR: Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate (CAS 717862-31-2) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate
Also Known As: CBKinase1_010549, CBKinase1_022949, BRD-A22196366-001-01-3, ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate, ethyl 4-{[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoate
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.422 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 772.02594 |
Chemical Identifiers
| CAS Number | 717862-31-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2COC3=CC=CC=C3O2 |
Product Overview
Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate (CAS 717862-31-2), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate
Property Insights of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate
The XLogP value of 3.422 indicates that Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate 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 Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate?
The CAS number of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate is 717862-31-2.
What is the molecular formula of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate?
The molecular formula of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate is C20H21NO5.
What is the molecular weight of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate?
The molecular weight of Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate is 355.14 g/mol.
Where can I buy Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate?
You can request a quote for Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.