3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone
TL;DR: 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone (CAS 64179-35-7) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one
Also Known As: 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 3-((2,3-dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-, 3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one, 3-{[3-(Hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-2-benzofuran-1(3H)-one, RefChem:211690
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.0998 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 760.399 |
Chemical Identifiers
| CAS Number | 64179-35-7 |
|---|---|
| SMILES | C1C(OC2=C(O1)C=CC(=C2)NC3C4=CC=CC=C4C(=O)O3)CO |
Product Overview
3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone (CAS 64179-35-7), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 3-[[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone
Property Insights of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone
The XLogP value of 2.0998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone. The TPSA of 77.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone. Following Lipinski's Rule of Five, 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone has 2 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-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
The CAS number of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone is 64179-35-7.
What is the molecular formula of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
The molecular formula of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone is C17H15NO5.
What is the molecular weight of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
The molecular weight of 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone is 313.10 g/mol.
Where can I buy 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
You can request a quote for 3-((2,3-Dihydro-3-(hydroxymethyl)-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-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,3-Dihydro-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.