![2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one structure](/static/products/7236/72360-92-0.webp)
2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one
TL;DR: 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one (CAS 72360-92-0) is a chemical compound with molecular formula C22H14O4S2 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one
Also Known As: 2-[4-(4-oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one, 2,2'-benzene-1,4-diylbis(4h-3,1-benzoxathiin-4-one), 3,1-Benzoxathian-4-one,2,2'-p-phenylenedi- (8CI), 2,2'-(1,4-Phenylene)di(2H,4H-3,1-benzoxathiin-4-one), 2-[4-(4-oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4
| Molecular Formula | C22H14O4S2 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.03336 |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 72360-92-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(S2)C3=CC=C(C=C3)C4OC(=O)C5=CC=CC=C5S4 |
| InChIKey | OVNAINLQRWRAFY-UHFFFAOYSA-N |
Product Overview
2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one (CAS 72360-92-0), with molecular formula C22H14O4S2 and molecular weight 406.03 g/mol. IUPAC: 2-[4-(4-oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one.
Chemical Property Profile of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one
Property Insights of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one
The XLogP value of 5.4 indicates that 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one. Following Lipinski's Rule of Five, 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one?
The CAS number of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one is 72360-92-0.
What is the molecular formula of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one?
The molecular formula of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one is C22H14O4S2.
What is the molecular weight of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one?
The molecular weight of 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one is 406.03 g/mol.
Where can I buy 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one?
You can request a quote for 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Oxo-3,1-benzoxathiin-2-yl)phenyl]-3,1-benzoxathiin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.