1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-
TL;DR: 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- (CAS 62268-14-8) is a chemical compound with molecular formula C9H5Cl3O2S and molecular weight 281.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trichloro-7-methylsulfanyl-3H-2-benzofuran-1-one
Also Known As: 4,5,6-Trichloro-7-methylthiophthalide, 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-, 4,5,6-trichloro-7-methylsulfanyl-3H-2-benzofuran-1-one, 4,5,6-Trichloro-7-(methylsulfanyl)-2-benzofuran-1(3H)-one, RefChem:211743
| Molecular Formula | C9H5Cl3O2S |
|---|---|
| Molecular Weight | 281.91 g/mol |
| LogP | 4.0391 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.9076 |
| Heavy Atoms | 15 |
| Complexity | 459.40607 |
Chemical Identifiers
| CAS Number | 62268-14-8 |
|---|---|
| SMILES | CSC1=C(C(=C(C2=C1C(=O)OC2)Cl)Cl)Cl |
Product Overview
1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- (CAS 62268-14-8), with molecular formula C9H5Cl3O2S and molecular weight 281.91 g/mol. IUPAC: 4,5,6-trichloro-7-methylsulfanyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-
Property Insights of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-
The XLogP value of 4.0391 indicates that 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-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, 7-(methylthio)-4,5,6-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- 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 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-?
The CAS number of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- is 62268-14-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-?
The molecular formula of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- is C9H5Cl3O2S.
What is the molecular weight of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-?
The molecular weight of 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- is 281.91 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro-?
You can request a quote for 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-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, 7-(methylthio)-4,5,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 7-(methylthio)-4,5,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.