3-benzyl-4-chloro-2H-chromen-2-one
TL;DR: 3-benzyl-4-chloro-2H-chromen-2-one (CAS 110229-42-0) is a chemical compound with molecular formula C16H11ClO2 and molecular weight 270.04477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-4-chlorochromen-2-one
Also Known As: 3-benzyl-4-chlorochromen-2-one, Maybridge3_005361, 3-benzyl-4-chloro-2H-chromen-2-one, 3-Benzyl-4-chlor-cumarin, IDI1_016748
Technical Specifications
| Molecular Formula | C16H11ClO2 |
| Molecular Weight | 270.04477 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.04477 Da |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
| SMILES | C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)Cl |
| InChIKey | ACVPCDUQTNPZRA-UHFFFAOYSA-N |
Chemical Property Profile of 3-benzyl-4-chloro-2H-chromen-2-one
Property Insights of 3-benzyl-4-chloro-2H-chromen-2-one
The XLogP value of 4.2 indicates that 3-benzyl-4-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 26.3 Ų, 3-benzyl-4-chloro-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-4-chloro-2H-chromen-2-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
What is the CAS number of 3-benzyl-4-chloro-2H-chromen-2-one?
The CAS number of 3-benzyl-4-chloro-2H-chromen-2-one is 110229-42-0.
What is the molecular formula of 3-benzyl-4-chloro-2H-chromen-2-one?
The molecular formula of 3-benzyl-4-chloro-2H-chromen-2-one is C16H11ClO2.
What is the molecular weight of 3-benzyl-4-chloro-2H-chromen-2-one?
The molecular weight of 3-benzyl-4-chloro-2H-chromen-2-one is 270.04477 g/mol.
Where can I buy 3-benzyl-4-chloro-2H-chromen-2-one?
You can request a quote for 3-benzyl-4-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-benzyl-4-chloro-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 3-benzyl-4-chloro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.