4',6-Dicyanoflavan
TL;DR: 4',6-Dicyanoflavan (CAS 128723-69-3) is a chemical compound with molecular formula C17H12N2O and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-cyanophenyl)-3,4-dihydro-2H-chromene-6-carbonitrile
Also Known As: 4',6-Dicyanoflavan, 4/',6-Dicyanoflavan, 4 ,6-Dicyanoflavan, 2-(4-cyanophenyl)chromane-6-carbonitrile, 2-(4-Cyanophenyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
| Molecular Formula | C17H12N2O |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.09497 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 128723-69-3 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)C#N)OC1C3=CC=C(C=C3)C#N |
| InChIKey | SSIWFJPKMOVDEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4',6-Dicyanoflavan (CAS 128723-69-3), with molecular formula C17H12N2O and molecular weight 260.09 g/mol. IUPAC: 2-(4-cyanophenyl)-3,4-dihydro-2H-chromene-6-carbonitrile.
Chemical Property Profile of 4',6-Dicyanoflavan
Property Insights of 4',6-Dicyanoflavan
The XLogP value of 3.3 indicates that 4',6-Dicyanoflavan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 4',6-Dicyanoflavan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',6-Dicyanoflavan has 0 hydrogen bond donor(s) and 3 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 4',6-Dicyanoflavan?
The CAS number of 4',6-Dicyanoflavan is 128723-69-3.
What is the molecular formula of 4',6-Dicyanoflavan?
The molecular formula of 4',6-Dicyanoflavan is C17H12N2O.
What is the molecular weight of 4',6-Dicyanoflavan?
The molecular weight of 4',6-Dicyanoflavan is 260.09 g/mol.
Where can I buy 4',6-Dicyanoflavan?
You can request a quote for 4',6-Dicyanoflavan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',6-Dicyanoflavan?
Yes, KEHONG BIO provides custom synthesis services for 4',6-Dicyanoflavan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.