3-butyryl-6-chloro-2H-chromen-2-one
TL;DR: 3-butyryl-6-chloro-2H-chromen-2-one (CAS 100726-53-2) is a chemical compound with molecular formula C13H11ClO3 and molecular weight 250.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butanoyl-6-chlorochromen-2-one
Also Known As: 3-butyryl-6-chloro-2H-chromen-2-one, 3-butanoyl-6-chlorochromen-2-one, 3-butanoyl-6-chloro-2H-chromen-2-one, BRD-K13726741-001-01-2, F0918-6723
Technical Specifications
| Molecular Formula | C13H11ClO3 |
| Molecular Weight | 250.03967 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03967 Da |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
| SMILES | CCCC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | IEQKRTNXPIAPGF-UHFFFAOYSA-N |
Chemical Property Profile of 3-butyryl-6-chloro-2H-chromen-2-one
Property Insights of 3-butyryl-6-chloro-2H-chromen-2-one
The XLogP value of 3.3 indicates that 3-butyryl-6-chloro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-butyryl-6-chloro-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-butyryl-6-chloro-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-butyryl-6-chloro-2H-chromen-2-one?
The CAS number of 3-butyryl-6-chloro-2H-chromen-2-one is 100726-53-2.
What is the molecular formula of 3-butyryl-6-chloro-2H-chromen-2-one?
The molecular formula of 3-butyryl-6-chloro-2H-chromen-2-one is C13H11ClO3.
What is the molecular weight of 3-butyryl-6-chloro-2H-chromen-2-one?
The molecular weight of 3-butyryl-6-chloro-2H-chromen-2-one is 250.03967 g/mol.
Where can I buy 3-butyryl-6-chloro-2H-chromen-2-one?
You can request a quote for 3-butyryl-6-chloro-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-butyryl-6-chloro-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 3-butyryl-6-chloro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.