1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-
TL;DR: 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- (CAS 4792-31-8) is a chemical compound with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(phenylsulfanyl)-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-, 1(3H)-Isobenzofuranone,3,3-bis(phenylthio)-, 3,3-bis(phenylsulfanyl)-2-benzofuran-1-one, 1,1-Bis(phenylthio)isobenzofuran-3(1H)-one, J3.364.024B
| Molecular Formula | C20H14O2S2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.04352 |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 4792-31-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)SC4=CC=CC=C4 |
| InChIKey | UYUWHWDNHJPCDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- (CAS 4792-31-8), with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol. IUPAC: 3,3-bis(phenylsulfanyl)-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-
Property Insights of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-
The XLogP value of 5.6 indicates that 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-?
The CAS number of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- is 4792-31-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- is C20H14O2S2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- is 350.04 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- 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, 3,3-bis(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3,3-bis(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.