1(3H)-Isobenzofuranone, 4,7-dichloro-
TL;DR: 1(3H)-Isobenzofuranone, 4,7-dichloro- (CAS 52043-46-6) 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.
4,7-dichloro-3H-2-benzofuran-1-one
Also Known As: 4,7-Dichlorophthalide, 1(3H)-Isobenzofuranone, 4,7-dichloro-, 4,7-dichloro-3H-2-benzofuran-1-one, 4,7-dichloro-3H-isobenzofuran-1-one, 4,7-Dichloro-2-benzofuran-1(3H)-one
| Molecular Formula | C8H4Cl2O2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 2.6638 |
| 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 | 360.32065 |
Chemical Identifiers
| CAS Number | 52043-46-6 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2C(=O)O1)Cl)Cl |
Product Overview
1(3H)-Isobenzofuranone, 4,7-dichloro- (CAS 52043-46-6), with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol. IUPAC: 4,7-dichloro-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 4,7-dichloro-
Property Insights of 1(3H)-Isobenzofuranone, 4,7-dichloro-
The XLogP value of 2.6638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 4,7-dichloro-. With a topological polar surface area (TPSA) of 26.3 Ų, 1(3H)-Isobenzofuranone, 4,7-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 4,7-dichloro- 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 1(3H)-Isobenzofuranone, 4,7-dichloro-?
The CAS number of 1(3H)-Isobenzofuranone, 4,7-dichloro- is 52043-46-6.
What is the molecular formula of 1(3H)-Isobenzofuranone, 4,7-dichloro-?
The molecular formula of 1(3H)-Isobenzofuranone, 4,7-dichloro- is C8H4Cl2O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 4,7-dichloro-?
The molecular weight of 1(3H)-Isobenzofuranone, 4,7-dichloro- is 201.96 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 4,7-dichloro-?
You can request a quote for 1(3H)-Isobenzofuranone, 4,7-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 4,7-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 4,7-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.