C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate
TL;DR: C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate (CAS 32728-31-7) is a chemical compound with molecular formula C22H12N2O4 and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1-(4-cyanatophenyl)-3-oxo-2-benzofuran-1-yl]phenyl] cyanate
Also Known As: Phenolphthalein dicyanate, 3,3-bis(4-cyanatophenyl)-1(3H)-isobenzofuranone, J2.698.554D, 3,3-bis-(4-cyanatophenyl)-2-benzofuran-1-one, 3,3-Bis(4-cyanatophenyl)isobenzofuran-1(3H)-one
| Molecular Formula | C22H12N2O4 |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.86866 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.0797 |
| Heavy Atoms | 28 |
| Complexity | 1063.4386 |
Chemical Identifiers
| CAS Number | 32728-31-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC#N)C4=CC=C(C=C4)OC#N |
Product Overview
C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate (CAS 32728-31-7), with molecular formula C22H12N2O4 and molecular weight 368.08 g/mol. IUPAC: [4-[1-(4-cyanatophenyl)-3-oxo-2-benzofuran-1-yl]phenyl] cyanate.
Chemical Property Profile of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate
Property Insights of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate
The XLogP value of 3.86866 indicates that C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate. Following Lipinski's Rule of Five, C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate has 0 hydrogen bond donor(s) and 6 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 C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate?
The CAS number of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate is 32728-31-7.
What is the molecular formula of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate?
The molecular formula of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate is C22H12N2O4.
What is the molecular weight of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate?
The molecular weight of C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate is 368.08 g/mol.
Where can I buy C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate?
You can request a quote for C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate?
Yes, KEHONG BIO provides custom synthesis services for C,C'-((3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) dicyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.