Pechmann's dye
TL;DR: Pechmann's dye (CAS 6287-65-6) is a chemical compound with molecular formula C20H12O4 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(2-oxo-5-phenylfuran-3-ylidene)-3-phenylfuran-2-one
Also Known As: Pechmann's dye, (5E)-5-(2-oxo-5-phenylfuran-3-ylidene)-3-phenylfuran-2-one, (3E)-3-(5-Oxo-4-phenylfuran-2(5H)-ylidene)-5-phenylfuran-2(3H)-one
| Molecular Formula | C20H12O4 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.4788 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.07355 |
| Heavy Atoms | 24 |
| Complexity | 918.6259 |
Chemical Identifiers
| CAS Number | 6287-65-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C/C(=C\3/C=C(OC3=O)C4=CC=CC=C4)/OC2=O |
Product Overview
Pechmann's dye (CAS 6287-65-6), with molecular formula C20H12O4 and molecular weight 316.07 g/mol. IUPAC: (5E)-5-(2-oxo-5-phenylfuran-3-ylidene)-3-phenylfuran-2-one.
Chemical Property Profile of Pechmann's dye
Property Insights of Pechmann's dye
The XLogP value of 3.4788 indicates that Pechmann's dye is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Pechmann's dye exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pechmann's dye 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 Pechmann's dye?
The CAS number of Pechmann's dye is 6287-65-6.
What is the molecular formula of Pechmann's dye?
The molecular formula of Pechmann's dye is C20H12O4.
What is the molecular weight of Pechmann's dye?
The molecular weight of Pechmann's dye is 316.07 g/mol.
Where can I buy Pechmann's dye?
You can request a quote for Pechmann's dye directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pechmann's dye?
Yes, KEHONG BIO provides custom synthesis services for Pechmann's dye and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.