4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one
TL;DR: 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one (CAS 720673-40-5) is a chemical compound with molecular formula C23H16Cl2O2 and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one
Also Known As: 4-Benzyl-6-chloro-3-(4'-chlorophenyl)-7-methylcoumarin, 4-Benzyl-6-chloro-3(4'-chlorophenyl)-7-methylcoumarin, 4-benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one, 4-benzyl-6-chloro-3-(4-chlorophenyl)-7-methyl-chromen-2-one, 6-chloro-3-(4-chlorophenyl)-7-methyl-4-benzylchromen-2-one
| Molecular Formula | C23H16Cl2O2 |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 6.66602 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.05273 |
| Heavy Atoms | 27 |
| Complexity | 1177.1301 |
Chemical Identifiers
| CAS Number | 720673-40-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one (CAS 720673-40-5), with molecular formula C23H16Cl2O2 and molecular weight 394.05 g/mol. IUPAC: 4-benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one.
Chemical Property Profile of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one
Property Insights of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one
The XLogP value of 6.66602 indicates that 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one?
The CAS number of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one is 720673-40-5.
What is the molecular formula of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one?
The molecular formula of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one is C23H16Cl2O2.
What is the molecular weight of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one?
The molecular weight of 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one is 394.05 g/mol.
Where can I buy 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one?
You can request a quote for 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-6-chloro-3-(4-chlorophenyl)-7-methylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.