3,4-Diphenyl-6-methylcoumarin
TL;DR: 3,4-Diphenyl-6-methylcoumarin (CAS 33257-85-1) is a chemical compound with molecular formula C22H16O2 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3,4-diphenylchromen-2-one
Also Known As: 3,4-DIPHENYL-6-METHYLCOUMARIN, 6-methyl-3,4-diphenylchromen-2-one, 6-methyl-3,4-diphenyl-chromen-2-one, 6-methyl-3,4-diphenyl-2H-chromen-2-one, J1.145.558A
| Molecular Formula | C22H16O2 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 5.43542 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.11502 |
| Heavy Atoms | 24 |
| Complexity | 1061.5719 |
Chemical Identifiers
| CAS Number | 33257-85-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3,4-Diphenyl-6-methylcoumarin (CAS 33257-85-1), with molecular formula C22H16O2 and molecular weight 312.12 g/mol. IUPAC: 6-methyl-3,4-diphenylchromen-2-one.
Chemical Property Profile of 3,4-Diphenyl-6-methylcoumarin
Property Insights of 3,4-Diphenyl-6-methylcoumarin
The XLogP value of 5.43542 indicates that 3,4-Diphenyl-6-methylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 3,4-Diphenyl-6-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diphenyl-6-methylcoumarin 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 3,4-Diphenyl-6-methylcoumarin?
The CAS number of 3,4-Diphenyl-6-methylcoumarin is 33257-85-1.
What is the molecular formula of 3,4-Diphenyl-6-methylcoumarin?
The molecular formula of 3,4-Diphenyl-6-methylcoumarin is C22H16O2.
What is the molecular weight of 3,4-Diphenyl-6-methylcoumarin?
The molecular weight of 3,4-Diphenyl-6-methylcoumarin is 312.12 g/mol.
Where can I buy 3,4-Diphenyl-6-methylcoumarin?
You can request a quote for 3,4-Diphenyl-6-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diphenyl-6-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diphenyl-6-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.