![7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one structure](/static/products/1299/129910-59-4.webp)
7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one
TL;DR: 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one (CAS 129910-59-4) is a chemical compound with molecular formula C18H15ClO3 and molecular weight 314.07098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(4-chlorophenyl)methoxy]-3,4-dimethylchromen-2-one
Also Known As: 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one, 3,4-Dimethyl-7-(4-chlorobenzyloxy)coumarin, J1.477.727J, 7-[(4-chlorophenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one, AO-375/40981794
Technical Specifications
| Molecular Formula | C18H15ClO3 |
| Molecular Weight | 314.07098 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.07098 Da |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Cl)C |
| InChIKey | LVUUTOUXLZZNQA-UHFFFAOYSA-N |
Chemical Property Profile of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one
Property Insights of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one
The XLogP value of 4.3 indicates that 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-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 35.5 Ų, 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-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 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one?
The CAS number of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one is 129910-59-4.
What is the molecular formula of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one?
The molecular formula of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one is C18H15ClO3.
What is the molecular weight of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one?
The molecular weight of 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one is 314.07098 g/mol.
Where can I buy 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one?
You can request a quote for 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 7-[(4-chlorobenzyl)oxy]-3,4-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.