3-(4-Hydroxybenzylidene) chroman-4-one
TL;DR: 3-(4-Hydroxybenzylidene) chroman-4-one (CAS 5559-27-3) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxyphenyl)methylidene]chromen-4-one
Also Known As: 3-(4-hydroxybenzylidene) chroman-4-one, 3-[(4-hydroxyphenyl)methylidene]chromen-4-one, 4h-1-benzopyran-4-one,2,3-dihydro-3-[(4-hydroxyphenyl)methylene]-
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 5559-27-3 |
|---|---|
| SMILES | C1C(=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3O1 |
| InChIKey | NIGIWYGQQJWVST-UHFFFAOYSA-N |
Product Overview
3-(4-Hydroxybenzylidene) chroman-4-one (CAS 5559-27-3), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 3-[(4-hydroxyphenyl)methylidene]chromen-4-one.
Chemical Property Profile of 3-(4-Hydroxybenzylidene) chroman-4-one
Property Insights of 3-(4-Hydroxybenzylidene) chroman-4-one
The XLogP value of 3.0 indicates that 3-(4-Hydroxybenzylidene) chroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-Hydroxybenzylidene) chroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Hydroxybenzylidene) chroman-4-one has 1 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 3-(4-Hydroxybenzylidene) chroman-4-one?
The CAS number of 3-(4-Hydroxybenzylidene) chroman-4-one is 5559-27-3.
What is the molecular formula of 3-(4-Hydroxybenzylidene) chroman-4-one?
The molecular formula of 3-(4-Hydroxybenzylidene) chroman-4-one is C16H12O3.
What is the molecular weight of 3-(4-Hydroxybenzylidene) chroman-4-one?
The molecular weight of 3-(4-Hydroxybenzylidene) chroman-4-one is 252.08 g/mol.
Where can I buy 3-(4-Hydroxybenzylidene) chroman-4-one?
You can request a quote for 3-(4-Hydroxybenzylidene) chroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxybenzylidene) chroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxybenzylidene) chroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.