![3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione structure](/static/products/6589/65898-29-5.webp)
3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione
TL;DR: 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione (CAS 65898-29-5) is a chemical compound with molecular formula C13H11NO5 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-oxo-1H-2-benzofuran-1-yl)amino]oxane-2,6-dione
Also Known As: 3-[(3-oxo-1H-2-benzofuran-1-yl)amino]oxane-2,6-dione, 3-[(3-oxo-1H-isobenzofuran-1-yl)amino]oxane-2,6-dione, 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione, 3-((3-Oxo-1,3-dihydroisobenzofuran-1-yl)amino)dihydro-2H-pyran-2,6(3H)-dione
| Molecular Formula | C13H11NO5 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.06372 |
| Heavy Atoms | 19 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 65898-29-5 |
|---|---|
| SMILES | C1CC(=O)OC(=O)C1NC2C3=CC=CC=C3C(=O)O2 |
| InChIKey | NNJDQBBPQOZMKB-UHFFFAOYSA-N |
Product Overview
3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione (CAS 65898-29-5), with molecular formula C13H11NO5 and molecular weight 261.06 g/mol. IUPAC: 3-[(3-oxo-1H-2-benzofuran-1-yl)amino]oxane-2,6-dione.
Chemical Property Profile of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione
Property Insights of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione. Following Lipinski's Rule of Five, 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione has 1 hydrogen bond donor(s) and 6 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-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione?
The CAS number of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione is 65898-29-5.
What is the molecular formula of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione?
The molecular formula of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione is C13H11NO5.
What is the molecular weight of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione?
The molecular weight of 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione is 261.06 g/mol.
Where can I buy 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione?
You can request a quote for 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.