3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone
TL;DR: 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone (CAS 64179-31-3) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 3-((2,3-dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-, 3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-dimethoxy-2-benzofuran-1(3H)-one, 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 2.7561 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 834.5563 |
Chemical Identifiers
| CAS Number | 64179-31-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC4=C(C=C3)OCCO4)OC |
Product Overview
3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone (CAS 64179-31-3), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone
Property Insights of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone
The XLogP value of 2.7561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone. Following Lipinski's Rule of Five, 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-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-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone?
The CAS number of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone is 64179-31-3.
What is the molecular formula of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone?
The molecular formula of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone is C18H17NO6.
What is the molecular weight of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone?
The molecular weight of 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone is 343.11 g/mol.
Where can I buy 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone?
You can request a quote for 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-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-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,3-Dihydro-1,4-benzodioxin-6-yl)amino)-6,7-dimethoxy-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.