![3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one structure](/static/products/552/552286-01-8.png)
3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
TL;DR: 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one (CAS 552286-01-8) is a chemical compound with molecular formula C17H15F2NO6S and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-((2-((difluoromethyl)sulfonyl)phenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-({2-[(difluoromethyl)sulfonyl]phenyl}amino)-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C17H15F2NO6S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.0588 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 552286-01-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC=CC=C3S(=O)(=O)C(F)F)OC |
| InChIKey | IIHZTGMHLLEDQD-UHFFFAOYSA-N |
Product Overview
3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one (CAS 552286-01-8), with molecular formula C17H15F2NO6S and molecular weight 399.06 g/mol. IUPAC: 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
Property Insights of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
The XLogP value of 3.8 indicates that 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one has 1 hydrogen bond donor(s) and 9 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-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one?
The CAS number of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one is 552286-01-8.
What is the molecular formula of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one?
The molecular formula of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one is C17H15F2NO6S.
What is the molecular weight of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one?
The molecular weight of 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one is 399.06 g/mol.
Where can I buy 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one?
You can request a quote for 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(difluoromethylsulfonyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.