Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate
TL;DR: Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate (CAS 894877-19-1) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate
Also Known As: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate, AP-970/43374782, ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(4-morpholinyl)benzoate, ethyl 3-(benzo[d][1,3]dioxole-5-carboxamido)-4-morpholinobenzoate, ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(morpholin-4-yl)benzoate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.6809 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 923.3825 |
Chemical Identifiers
| CAS Number | 894877-19-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate (CAS 894877-19-1), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate.
Chemical Property Profile of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate
Property Insights of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate
The XLogP value of 2.6809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate has 1 hydrogen bond donor(s) and 7 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 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate?
The CAS number of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate is 894877-19-1.
What is the molecular formula of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate?
The molecular formula of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate is C21H22N2O6.
What is the molecular weight of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate?
The molecular weight of Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate is 398.15 g/mol.
Where can I buy Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate?
You can request a quote for Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-morpholin-4-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.