1(3H)-Isobenzofuranone, 4,6,7-trichloro-
TL;DR: 1(3H)-Isobenzofuranone, 4,6,7-trichloro- (CAS 51366-05-3) is a chemical compound with molecular formula C8H3Cl3O2 and molecular weight 235.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trichloro-3H-2-benzofuran-1-one
Also Known As: 4,6,7-Trichlorophthalide, 1(3H)-Isobenzofuranone, 4,6,7-trichloro-, 4,6,7-trichloro-3H-2-benzofuran-1-one, 4,6,7-Trichloro-2-benzofuran-1(3H)-one, RefChem:211733
| Molecular Formula | C8H3Cl3O2 |
|---|---|
| Molecular Weight | 235.92 g/mol |
| LogP | 3.3172 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.91986 |
| Heavy Atoms | 13 |
| Complexity | 400.86588 |
Chemical Identifiers
| CAS Number | 51366-05-3 |
|---|---|
| SMILES | C1C2=C(C(=C(C=C2Cl)Cl)Cl)C(=O)O1 |
Product Overview
1(3H)-Isobenzofuranone, 4,6,7-trichloro- (CAS 51366-05-3), with molecular formula C8H3Cl3O2 and molecular weight 235.92 g/mol. IUPAC: 4,6,7-trichloro-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 4,6,7-trichloro-
Property Insights of 1(3H)-Isobenzofuranone, 4,6,7-trichloro-
The XLogP value of 3.3172 indicates that 1(3H)-Isobenzofuranone, 4,6,7-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1(3H)-Isobenzofuranone, 4,6,7-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 4,6,7-trichloro- 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, 4,6,7-trichloro-?
The CAS number of 1(3H)-Isobenzofuranone, 4,6,7-trichloro- is 51366-05-3.
What is the molecular formula of 1(3H)-Isobenzofuranone, 4,6,7-trichloro-?
The molecular formula of 1(3H)-Isobenzofuranone, 4,6,7-trichloro- is C8H3Cl3O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 4,6,7-trichloro-?
The molecular weight of 1(3H)-Isobenzofuranone, 4,6,7-trichloro- is 235.92 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 4,6,7-trichloro-?
You can request a quote for 1(3H)-Isobenzofuranone, 4,6,7-trichloro- 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, 4,6,7-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 4,6,7-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.