3-Chloroflavone
TL;DR: 3-Chloroflavone (CAS 13178-98-8) is a chemical compound with molecular formula C15H9ClO2 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-phenylchromen-4-one
Also Known As: 3-Chloroflavone, 3-chloro-2-phenylchromen-4-one, 3-chloro-2-phenyl-4H-chromen-4-one, GTPL400, 3-Chloro-2-phenyl-chromen-4-one
| Molecular Formula | C15H9ClO2 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0291 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 13178-98-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)Cl |
| InChIKey | FHXDSQYFCFWKAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroflavone (CAS 13178-98-8), with molecular formula C15H9ClO2 and molecular weight 256.03 g/mol. IUPAC: 3-chloro-2-phenylchromen-4-one.
Chemical Property Profile of 3-Chloroflavone
Property Insights of 3-Chloroflavone
The XLogP value of 4.4 indicates that 3-Chloroflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Chloroflavone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroflavone has 0 hydrogen bond donor(s) and 2 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-Chloroflavone?
The CAS number of 3-Chloroflavone is 13178-98-8.
What is the molecular formula of 3-Chloroflavone?
The molecular formula of 3-Chloroflavone is C15H9ClO2.
What is the molecular weight of 3-Chloroflavone?
The molecular weight of 3-Chloroflavone is 256.03 g/mol.
Where can I buy 3-Chloroflavone?
You can request a quote for 3-Chloroflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroflavone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.