4'-Chlorothioflavone
TL;DR: 4'-Chlorothioflavone (CAS 66724-23-0) is a chemical compound with molecular formula C15H9ClOS and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)thiochromen-4-one
Also Known As: 4'-Chlorothioflavone, 2-(4-chlorophenyl)thiochromen-4-one, 2-(4-Chlorophenyl)-4H-thiochromen-4-one, 2-(4-Chlorophenyl)-4H-1-benzothiopyran-4-one, 2-(4-Chlorophenyl)-4H-thiochromen-4-one #
| Molecular Formula | C15H9ClOS |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.00626 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 66724-23-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(S2)C3=CC=C(C=C3)Cl |
| InChIKey | CWSJISQNVMKFSY-UHFFFAOYSA-N |
Product Overview
4'-Chlorothioflavone (CAS 66724-23-0), with molecular formula C15H9ClOS and molecular weight 272.01 g/mol. IUPAC: 2-(4-chlorophenyl)thiochromen-4-one.
Chemical Property Profile of 4'-Chlorothioflavone
Property Insights of 4'-Chlorothioflavone
The XLogP value of 4.3 indicates that 4'-Chlorothioflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 4'-Chlorothioflavone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chlorothioflavone 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 4'-Chlorothioflavone?
The CAS number of 4'-Chlorothioflavone is 66724-23-0.
What is the molecular formula of 4'-Chlorothioflavone?
The molecular formula of 4'-Chlorothioflavone is C15H9ClOS.
What is the molecular weight of 4'-Chlorothioflavone?
The molecular weight of 4'-Chlorothioflavone is 272.01 g/mol.
Where can I buy 4'-Chlorothioflavone?
You can request a quote for 4'-Chlorothioflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chlorothioflavone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chlorothioflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.