![3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one structure](/static/products/3302/330202-35-2.webp)
3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
TL;DR: 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one (CAS 330202-35-2) is a chemical compound with molecular formula C17H13ClF3NO4 and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloro-5-(trifluoromethyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one, 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]-6,7-DIMETHOXY-1(3H)-ISOBENZOFURANONE, 3-[2-chloro-5-(trifluoromethyl)anilino]-6,7-dimethoxy-2-benzofuran-1(3H)-one, 3-[2-chloro-5-(trifluoromethyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
| Molecular Formula | C17H13ClF3NO4 |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 4.6571 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.04852 |
| Heavy Atoms | 26 |
| Complexity | 869.81696 |
Chemical Identifiers
| CAS Number | 330202-35-2 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC |
Product Overview
3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one (CAS 330202-35-2), with molecular formula C17H13ClF3NO4 and molecular weight 387.05 g/mol. IUPAC: 3-[2-chloro-5-(trifluoromethyl)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Property Insights of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
The XLogP value of 4.6571 indicates that 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one 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 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The CAS number of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one is 330202-35-2.
What is the molecular formula of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The molecular formula of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one is C17H13ClF3NO4.
What is the molecular weight of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The molecular weight of 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one is 387.05 g/mol.
Where can I buy 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one?
You can request a quote for 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-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-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.