3,4-Diphenylcoumarin
TL;DR: 3,4-Diphenylcoumarin (CAS 71644-60-5) is a chemical compound with molecular formula C21H14O2 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diphenylchromen-2-one
Also Known As: 3,4-DIPHENYLCOUMARIN, diphenyl coumarin, 3,4-diphenylchromen-2-one, 3,4-diphenyl-2H-chromen-2-one, 3,4-Diphenyl-alpha-chromene-2-one
| Molecular Formula | C21H14O2 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 5.127 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.09937 |
| Heavy Atoms | 23 |
| Complexity | 1015.82306 |
Chemical Identifiers
| CAS Number | 71644-60-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
3,4-Diphenylcoumarin (CAS 71644-60-5), with molecular formula C21H14O2 and molecular weight 298.10 g/mol. IUPAC: 3,4-diphenylchromen-2-one.
Chemical Property Profile of 3,4-Diphenylcoumarin
Property Insights of 3,4-Diphenylcoumarin
The XLogP value of 5.127 indicates that 3,4-Diphenylcoumarin 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-Diphenylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diphenylcoumarin 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-Diphenylcoumarin?
The CAS number of 3,4-Diphenylcoumarin is 71644-60-5.
What is the molecular formula of 3,4-Diphenylcoumarin?
The molecular formula of 3,4-Diphenylcoumarin is C21H14O2.
What is the molecular weight of 3,4-Diphenylcoumarin?
The molecular weight of 3,4-Diphenylcoumarin is 298.10 g/mol.
Where can I buy 3,4-Diphenylcoumarin?
You can request a quote for 3,4-Diphenylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diphenylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diphenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.