3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one
TL;DR: 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one (CAS 90013-28-8) 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(4-sulfanylphenyl)-2-benzofuran-1-one
Also Known As: 3,3-bis(4-sulfanylphenyl)isobenzofuran-1-one, 3,3-bis(4-sulfanylphenyl)-2-benzofuran-1-one, 1,4-Naphthalenedione,5-methoxy-2,3-dimethyl, 3,3-Bis(4-mercaptophenyl)isobenzofuran-1(3H)-one, 3,3-bis(4-sulfanylphenyl)-2-benzofuran-1(3h)-one
| Molecular Formula | C20H14O2S2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.04352 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 90013-28-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)S)C4=CC=C(C=C4)S |
| InChIKey | GOXMJFOEEKJTTK-UHFFFAOYSA-N |
Product Overview
3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one (CAS 90013-28-8), with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol. IUPAC: 3,3-bis(4-sulfanylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one
Property Insights of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one
The XLogP value of 4.6 indicates that 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.3 Ų, 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one has 2 hydrogen bond donor(s) and 4 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 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one?
The CAS number of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one is 90013-28-8.
What is the molecular formula of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one?
The molecular formula of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one is C20H14O2S2.
What is the molecular weight of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one?
The molecular weight of 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one is 350.04 g/mol.
Where can I buy 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one?
You can request a quote for 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(4-sulfanylphenyl)isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.