1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-
TL;DR: 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- (CAS 64179-39-1) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-2-benzofuran-1-one
Also Known As: 3-((7,8-Dimethyl-4H-1,3-benzodioxin-6-yl)amino)-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-, 3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-2-benzofuran-1-one, 3-[(7,8-Dimethyl-2H,4H-1,3-benzodioxin-6-yl)amino]-2-benzofuran-1(3H)-one, RefChem:211702
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.45104 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 799.8489 |
Chemical Identifiers
| CAS Number | 64179-39-1 |
|---|---|
| SMILES | CC1=C(C=C2COCOC2=C1C)NC3C4=CC=CC=C4C(=O)O3 |
Product Overview
1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- (CAS 64179-39-1), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 3-[(7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino]-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-
Property Insights of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-
The XLogP value of 3.45104 indicates that 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- has 1 hydrogen bond donor(s) and 5 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 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- is 64179-39-1.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- is C18H17NO4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- is 311.12 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-((7,8-dimethyl-4H-1,3-benzodioxin-6-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.