Coumarin, 4,5,7-trimethoxy-3-phenyl-
TL;DR: Coumarin, 4,5,7-trimethoxy-3-phenyl- (CAS 4222-03-1) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,7-trimethoxy-3-phenylchromen-2-one
Also Known As: 4,5,7-Trimethoxy-3-phenylcoumarin, Coumarin, 4,5,7-trimethoxy-3-phenyl-, Coumarin,4,5,7-trimethoxy-3-phenyl-, 4,5,7-trimethoxy-3-phenylchromen-2-one, 4,5,7-Trimethoxy-3-phenyl-2H-chromen-2-one
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 4222-03-1 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=C(C(=O)O2)C3=CC=CC=C3)OC |
| InChIKey | JPVDTIHQZZNGCH-UHFFFAOYSA-N |
Product Overview
Coumarin, 4,5,7-trimethoxy-3-phenyl- (CAS 4222-03-1), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: 4,5,7-trimethoxy-3-phenylchromen-2-one.
Chemical Property Profile of Coumarin, 4,5,7-trimethoxy-3-phenyl-
Property Insights of Coumarin, 4,5,7-trimethoxy-3-phenyl-
The XLogP value of 3.2 indicates that Coumarin, 4,5,7-trimethoxy-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Coumarin, 4,5,7-trimethoxy-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 4,5,7-trimethoxy-3-phenyl- has 0 hydrogen bond donor(s) and 5 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 Coumarin, 4,5,7-trimethoxy-3-phenyl-?
The CAS number of Coumarin, 4,5,7-trimethoxy-3-phenyl- is 4222-03-1.
What is the molecular formula of Coumarin, 4,5,7-trimethoxy-3-phenyl-?
The molecular formula of Coumarin, 4,5,7-trimethoxy-3-phenyl- is C18H16O5.
What is the molecular weight of Coumarin, 4,5,7-trimethoxy-3-phenyl-?
The molecular weight of Coumarin, 4,5,7-trimethoxy-3-phenyl- is 312.10 g/mol.
Where can I buy Coumarin, 4,5,7-trimethoxy-3-phenyl-?
You can request a quote for Coumarin, 4,5,7-trimethoxy-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4,5,7-trimethoxy-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4,5,7-trimethoxy-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.