![ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate structure](/static/products/874/874464-72-9.png)
ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate
TL;DR: ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate (CAS 874464-72-9) is a chemical compound with molecular formula C19H19NO5 and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate
Also Known As: ethyl 4-(2H,3H,4H-benzo[b]1,4-dioxepan-7-ylcarbonylamino)benzoate, ETHYL 4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-AMIDO)BENZOATE, ethyl 4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate, ethyl 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxamido)benzoate, ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate
| Molecular Formula | C19H19NO5 |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 3.2769 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1263 |
| Heavy Atoms | 25 |
| Complexity | 769.884 |
Chemical Identifiers
| CAS Number | 874464-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3 |
Product Overview
ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate (CAS 874464-72-9), with molecular formula C19H19NO5 and molecular weight 341.13 g/mol. IUPAC: ethyl 4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate.
Chemical Property Profile of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate
Property Insights of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate
The XLogP value of 3.2769 indicates that ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]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-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]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-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate?
The CAS number of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate is 874464-72-9.
What is the molecular formula of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate?
The molecular formula of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate is C19H19NO5.
What is the molecular weight of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate?
The molecular weight of ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate is 341.13 g/mol.
Where can I buy ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate?
You can request a quote for ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]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-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.