3,3-Dichloro-2-benzofuran-1-one
TL;DR: 3,3-Dichloro-2-benzofuran-1-one (CAS 601-70-7) is a chemical compound with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-2-benzofuran-1-one
Also Known As: 3,3-Dichlorophthalide, 3,3-dichlorphthalid, a,a-Dichlorophthalide, unsym-Phthalyl chloride, 3,3-dichloro-2-benzofuran-1-one
| Molecular Formula | C8H4Cl2O2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.95883 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 601-70-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(Cl)Cl |
| InChIKey | CYLNFIBVIQITMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dichloro-2-benzofuran-1-one (CAS 601-70-7), with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol. IUPAC: 3,3-dichloro-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Dichloro-2-benzofuran-1-one
Property Insights of 3,3-Dichloro-2-benzofuran-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloro-2-benzofuran-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-Dichloro-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloro-2-benzofuran-1-one has 0 hydrogen bond donor(s) and 2 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 3,3-Dichloro-2-benzofuran-1-one?
The CAS number of 3,3-Dichloro-2-benzofuran-1-one is 601-70-7.
What is the molecular formula of 3,3-Dichloro-2-benzofuran-1-one?
The molecular formula of 3,3-Dichloro-2-benzofuran-1-one is C8H4Cl2O2.
What is the molecular weight of 3,3-Dichloro-2-benzofuran-1-one?
The molecular weight of 3,3-Dichloro-2-benzofuran-1-one is 201.96 g/mol.
Where can I buy 3,3-Dichloro-2-benzofuran-1-one?
You can request a quote for 3,3-Dichloro-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 3,3-Dichloro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.