1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-
TL;DR: 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- (CAS 42797-36-4) is a chemical compound with molecular formula C22H18O2S2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-, 1(3H)-Isobenzofuranone,3,3-bis[(4-methylphenyl)thio]-, 3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one, 3,3-Bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1(3H)-one
| Molecular Formula | C22H18O2S2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.07483 |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 42797-36-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)SC4=CC=C(C=C4)C |
| InChIKey | LWPQHBHJOBNTND-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- (CAS 42797-36-4), with molecular formula C22H18O2S2 and molecular weight 378.07 g/mol. IUPAC: 3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-
Property Insights of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-
The XLogP value of 6.3 indicates that 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- 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((4-methylphenyl)thio)-. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- 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((4-methylphenyl)thio)-?
The CAS number of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- is 42797-36-4.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- is C22H18O2S2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- is 378.07 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- 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((4-methylphenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3,3-bis((4-methylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.