3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one
TL;DR: 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one (CAS 720676-37-9) is a chemical compound with molecular formula C17H13ClO2 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4,7-dimethylchromen-2-one
Also Known As: 3-(4-chlorophenyl)-4,7-dimethylchromen-2-one, 3-(4'-Chlorophenyl)-4,7-dimethylcoumarin, 3(4'-Chlorophenyl)-4,7-dimethylcoumarin, 3-(4 inverted exclamation mark -Chlorophenyl)-4,7-dimethylcoumarin
| Molecular Formula | C17H13ClO2 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.0604 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 720676-37-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)C |
| InChIKey | BEXWVDUZDJNLEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one (CAS 720676-37-9), with molecular formula C17H13ClO2 and molecular weight 284.06 g/mol. IUPAC: 3-(4-chlorophenyl)-4,7-dimethylchromen-2-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one
Property Insights of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one
The XLogP value of 4.5 indicates that 3-(4-Chlorophenyl)-4,7-dimethylchromen-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-(4-Chlorophenyl)-4,7-dimethylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4,7-dimethylchromen-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
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one?
The CAS number of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one is 720676-37-9.
What is the molecular formula of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one?
The molecular formula of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one is C17H13ClO2.
What is the molecular weight of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one?
The molecular weight of 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one is 284.06 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one?
You can request a quote for 3-(4-Chlorophenyl)-4,7-dimethylchromen-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-(4-Chlorophenyl)-4,7-dimethylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-4,7-dimethylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.