Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate
TL;DR: Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate (CAS 895093-51-3) 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.
methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate
Also Known As: AP-970/43375155, methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate, methyl 3-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]-4-(4-morpholinyl)benzoate, methyl 3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-4-morpholinobenzoate, methyl 3-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]-4-(morpholin-4-yl)benzoate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.3333 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 923.3825 |
Chemical Identifiers
| CAS Number | 895093-51-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate (CAS 895093-51-3), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate.
Chemical Property Profile of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate
Property Insights of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate
The XLogP value of 2.3333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate. Following Lipinski's Rule of Five, Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-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 Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate?
The CAS number of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate is 895093-51-3.
What is the molecular formula of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate?
The molecular formula of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate is C21H22N2O6.
What is the molecular weight of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate?
The molecular weight of Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate is 398.15 g/mol.
Where can I buy Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate?
You can request a quote for Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-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 Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.