3-Phenyl-8-methoxyisocoumarin
TL;DR: 3-Phenyl-8-methoxyisocoumarin (CAS 109715-85-7) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3-phenylisochromen-1-one
Also Known As: 3-phenyl-8-methoxyisocoumarin, 8-methoxy-3-phenyl-1h-isochromen-1-one, 8-methoxy-3-phenylisochromen-1-one, 1H-2-Benzopyran-1-one,8-methoxy-3-phenyl-, 3-Phenyl-8-methoxy-1H-2-benzopyran-1-one
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 109715-85-7 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)OC(=C2)C3=CC=CC=C3 |
| InChIKey | OSVPEXPVZPBMGN-UHFFFAOYSA-N |
Product Overview
3-Phenyl-8-methoxyisocoumarin (CAS 109715-85-7), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 8-methoxy-3-phenylisochromen-1-one.
Chemical Property Profile of 3-Phenyl-8-methoxyisocoumarin
Property Insights of 3-Phenyl-8-methoxyisocoumarin
The XLogP value of 3.5 indicates that 3-Phenyl-8-methoxyisocoumarin 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-Phenyl-8-methoxyisocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-8-methoxyisocoumarin 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-Phenyl-8-methoxyisocoumarin?
The CAS number of 3-Phenyl-8-methoxyisocoumarin is 109715-85-7.
What is the molecular formula of 3-Phenyl-8-methoxyisocoumarin?
The molecular formula of 3-Phenyl-8-methoxyisocoumarin is C16H12O3.
What is the molecular weight of 3-Phenyl-8-methoxyisocoumarin?
The molecular weight of 3-Phenyl-8-methoxyisocoumarin is 252.08 g/mol.
Where can I buy 3-Phenyl-8-methoxyisocoumarin?
You can request a quote for 3-Phenyl-8-methoxyisocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-8-methoxyisocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-8-methoxyisocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.