Negletein
TL;DR: Negletein (CAS 51576-10-4) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one
Also Known As: Negletein, 5,6-Dihydroxy-7-methoxyflavone, 7-O-Methylbaicalein, Baicalein-7-methylether, neglectein
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 51576-10-4 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O |
| InChIKey | ZTHLHHDJRXJGRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Negletein (CAS 51576-10-4), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: 5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one.
Chemical Property Profile of Negletein
Property Insights of Negletein
The XLogP value of 3.0 indicates that Negletein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Negletein. Following Lipinski's Rule of Five, Negletein has 2 hydrogen bond donor(s) and 5 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 Negletein?
The CAS number of Negletein is 51576-10-4.
What is the molecular formula of Negletein?
The molecular formula of Negletein is C16H12O5.
What is the molecular weight of Negletein?
The molecular weight of Negletein is 284.07 g/mol.
Where can I buy Negletein?
You can request a quote for Negletein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Negletein?
Yes, KEHONG BIO provides custom synthesis services for Negletein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.