1,3-Bis(4-cyanophenyl)propane
TL;DR: 1,3-Bis(4-cyanophenyl)propane (CAS 1156-51-0) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate
Also Known As: 2,2-Bis-(4-cyanatophenyl)propane, 2,2-Bis(4-cyanatophenyl)propane, Bisphenol A cyanate ester, Citflavanone, 4,4'-(Propane-2,2-diyl)bis(cyanatobenzene)
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 1156-51-0 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N |
| InChIKey | AHZMUXQJTGRNHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(4-cyanophenyl)propane (CAS 1156-51-0), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate.
Chemical Property Profile of 1,3-Bis(4-cyanophenyl)propane
Property Insights of 1,3-Bis(4-cyanophenyl)propane
The XLogP value of 4.1 indicates that 1,3-Bis(4-cyanophenyl)propane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-cyanophenyl)propane. Following Lipinski's Rule of Five, 1,3-Bis(4-cyanophenyl)propane has 0 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 1,3-Bis(4-cyanophenyl)propane?
The CAS number of 1,3-Bis(4-cyanophenyl)propane is 1156-51-0.
What is the molecular formula of 1,3-Bis(4-cyanophenyl)propane?
The molecular formula of 1,3-Bis(4-cyanophenyl)propane is C17H14N2O2.
What is the molecular weight of 1,3-Bis(4-cyanophenyl)propane?
The molecular weight of 1,3-Bis(4-cyanophenyl)propane is 278.11 g/mol.
Where can I buy 1,3-Bis(4-cyanophenyl)propane?
You can request a quote for 1,3-Bis(4-cyanophenyl)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-cyanophenyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-cyanophenyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.