6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
TL;DR: 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one (CAS 82735-28-2) is a chemical compound with molecular formula C10H7Cl3O3 and molecular weight 279.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-(trichloromethyl)-3H-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 6-methoxy-3-(trichloromethyl)-, 6-methoxy-3-(trichloromethyl)-3H-2-benzofuran-1-one, 6-Methoxy-3-(trichloromethyl)-1(3H)-isobenzofuranone, J2.213.607K, 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
| Molecular Formula | C10H7Cl3O3 |
|---|---|
| Molecular Weight | 279.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.94608 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 82735-28-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(OC2=O)C(Cl)(Cl)Cl |
| InChIKey | HABLWZDPICOODV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one (CAS 82735-28-2), with molecular formula C10H7Cl3O3 and molecular weight 279.95 g/mol. IUPAC: 6-methoxy-3-(trichloromethyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
Property Insights of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 35.5 Ų, 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 3 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 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
The CAS number of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one is 82735-28-2.
What is the molecular formula of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
The molecular formula of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one is C10H7Cl3O3.
What is the molecular weight of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
The molecular weight of 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one is 279.95 g/mol.
Where can I buy 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
You can request a quote for 6-Methoxy-3-(trichloromethyl)-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 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.