3(2',4'-Dichlorophenyl)-7-methoxycoumarin
TL;DR: 3(2',4'-Dichlorophenyl)-7-methoxycoumarin (CAS 263365-45-3) is a chemical compound with molecular formula C16H10Cl2O3 and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-7-methoxychromen-2-one
Also Known As: 3(2',4'-Dichlorophenyl)-7-methoxycoumarin, 3-(2,4-dichlorophenyl)-7-methoxychromen-2-one, 3-(2',4'-Dichlorophenyl)-7-methoxycoumarin
| Molecular Formula | C16H10Cl2O3 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0007 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 263365-45-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | ZMYYRVFXYRDTBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2',4'-Dichlorophenyl)-7-methoxycoumarin (CAS 263365-45-3), with molecular formula C16H10Cl2O3 and molecular weight 320.00 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-7-methoxychromen-2-one.
Chemical Property Profile of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin
Property Insights of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin
The XLogP value of 4.8 indicates that 3(2',4'-Dichlorophenyl)-7-methoxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3(2',4'-Dichlorophenyl)-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2',4'-Dichlorophenyl)-7-methoxycoumarin 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(2',4'-Dichlorophenyl)-7-methoxycoumarin?
The CAS number of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin is 263365-45-3.
What is the molecular formula of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin?
The molecular formula of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin is C16H10Cl2O3.
What is the molecular weight of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin?
The molecular weight of 3(2',4'-Dichlorophenyl)-7-methoxycoumarin is 320.00 g/mol.
Where can I buy 3(2',4'-Dichlorophenyl)-7-methoxycoumarin?
You can request a quote for 3(2',4'-Dichlorophenyl)-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2',4'-Dichlorophenyl)-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3(2',4'-Dichlorophenyl)-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.