3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone
TL;DR: 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone (CAS 64179-37-9) is a chemical compound with molecular formula C19H17NO6 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl acetate
Also Known As: 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 3-((2-((acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-, [6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl acetate, {6-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl acetate, RefChem:211691
| Molecular Formula | C19H17NO6 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 2.6706 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.1056 |
| Heavy Atoms | 26 |
| Complexity | 864.8579 |
Chemical Identifiers
| CAS Number | 64179-37-9 |
|---|---|
| SMILES | CC(=O)OCC1COC2=C(O1)C=CC(=C2)NC3C4=CC=CC=C4C(=O)O3 |
Product Overview
3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone (CAS 64179-37-9), with molecular formula C19H17NO6 and molecular weight 355.11 g/mol. IUPAC: [6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl acetate.
Chemical Property Profile of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone
Property Insights of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone
The XLogP value of 2.6706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone. Following Lipinski's Rule of Five, 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone 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 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
The CAS number of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone is 64179-37-9.
What is the molecular formula of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
The molecular formula of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone is C19H17NO6.
What is the molecular weight of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
The molecular weight of 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone is 355.11 g/mol.
Where can I buy 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
You can request a quote for 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-((Acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.