5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
TL;DR: 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one (CAS 3808-98-8) is a chemical compound with molecular formula C11H9Cl3O4 and molecular weight 309.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-3-(trichloromethyl)-3H-2-benzofuran-1-one
Also Known As: ChemDiv1_025832, 5,6-dimethoxy-3-trichloromethyl-phthalide, 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one, 5,6-dimethoxy-3-(trichloromethyl)-3H-2-benzofuran-1-one, 5,6-dimethoxy-3-(trichloromethyl)isobenzofuran-1(3H)-one
| Molecular Formula | C11H9Cl3O4 |
|---|---|
| Molecular Weight | 309.96 g/mol |
| LogP | 3.2855 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.95663 |
| Heavy Atoms | 18 |
| Complexity | 495.79706 |
Chemical Identifiers
| CAS Number | 3808-98-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(OC2=O)C(Cl)(Cl)Cl)OC |
Product Overview
5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one (CAS 3808-98-8), with molecular formula C11H9Cl3O4 and molecular weight 309.96 g/mol. IUPAC: 5,6-dimethoxy-3-(trichloromethyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
Property Insights of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
The XLogP value of 3.2855 indicates that 5,6-dimethoxy-3-(trichloromethyl)-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 44.76 Ų, 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 4 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 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
The CAS number of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one is 3808-98-8.
What is the molecular formula of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
The molecular formula of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one is C11H9Cl3O4.
What is the molecular weight of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
The molecular weight of 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one is 309.96 g/mol.
Where can I buy 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
You can request a quote for 5,6-dimethoxy-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 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.