![3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one structure](/static/products/3801/380181-36-2.webp)
3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one
TL;DR: 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one (CAS 380181-36-2) is a chemical compound with molecular formula C17H12ClFO3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-7-[(4-fluorophenyl)methoxy]-4-methylchromen-2-one
Also Known As: 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one, 3-chloro-7-[(4-fluorophenyl)methoxy]-4-methylchromen-2-one, 3-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-2H-chromen-2-one
| Molecular Formula | C17H12ClFO3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 4.47292 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0459 |
| Heavy Atoms | 22 |
| Complexity | 884.7849 |
Chemical Identifiers
| CAS Number | 380181-36-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)F)Cl |
Product Overview
3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one (CAS 380181-36-2), with molecular formula C17H12ClFO3 and molecular weight 318.05 g/mol. IUPAC: 3-chloro-7-[(4-fluorophenyl)methoxy]-4-methylchromen-2-one.
Chemical Property Profile of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one
Property Insights of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one
The XLogP value of 4.47292 indicates that 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-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 39.44 Ų, 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-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
Frequently Asked Questions
What is the CAS number of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one?
The CAS number of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one is 380181-36-2.
What is the molecular formula of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one?
The molecular formula of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one is C17H12ClFO3.
What is the molecular weight of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one?
The molecular weight of 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one is 318.05 g/mol.
Where can I buy 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one?
You can request a quote for 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-7-[(4-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.