6-chloro-2-(trichloromethyl)-4H-chromen-4-one
TL;DR: 6-chloro-2-(trichloromethyl)-4H-chromen-4-one (CAS 133406-29-8) is a chemical compound with molecular formula C10H4Cl4O2 and molecular weight 295.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(trichloromethyl)chromen-4-one
Also Known As: 6-chloro-2-(trichloromethyl)chromen-4-one, 6-chloro-2-(trichloromethyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 6-chloro-2-(trichloromethyl)-, 6-chloro-2-(trichloromethyl)chromen-4-oneEE, 6-Chloro-2-(trichloromethyl)-4H-1-benzopyran-4-one
| Molecular Formula | C10H4Cl4O2 |
|---|---|
| Molecular Weight | 295.90 g/mol |
| LogP | 4.2731 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.89655 |
| Heavy Atoms | 16 |
| Complexity | 597.771 |
Chemical Identifiers
| CAS Number | 133406-29-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(Cl)(Cl)Cl |
Product Overview
6-chloro-2-(trichloromethyl)-4H-chromen-4-one (CAS 133406-29-8), with molecular formula C10H4Cl4O2 and molecular weight 295.90 g/mol. IUPAC: 6-chloro-2-(trichloromethyl)chromen-4-one.
Chemical Property Profile of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one
Property Insights of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one
The XLogP value of 4.2731 indicates that 6-chloro-2-(trichloromethyl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 6-chloro-2-(trichloromethyl)-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-(trichloromethyl)-4H-chromen-4-one 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 6-chloro-2-(trichloromethyl)-4H-chromen-4-one?
The CAS number of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one is 133406-29-8.
What is the molecular formula of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one?
The molecular formula of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one is C10H4Cl4O2.
What is the molecular weight of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one?
The molecular weight of 6-chloro-2-(trichloromethyl)-4H-chromen-4-one is 295.90 g/mol.
Where can I buy 6-chloro-2-(trichloromethyl)-4H-chromen-4-one?
You can request a quote for 6-chloro-2-(trichloromethyl)-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-2-(trichloromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-2-(trichloromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.