1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-
TL;DR: 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- (CAS 550365-37-2) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-phenylisochromen-1-one
Also Known As: 3-Phenyl-4-methylisocoumarin, 4-methyl-3-phenylisocoumarin, 4-methyl-3-phenyl-isocumarin, 4-Methyl-3-phenyl-1H-isochromen-1-one, 4-methyl-3-phenylisochromen-1-one
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 550365-37-2 |
|---|---|
| SMILES | CC1=C(OC(=O)C2=CC=CC=C12)C3=CC=CC=C3 |
| InChIKey | UMAAMPIWXTXNEU-UHFFFAOYSA-N |
Product Overview
1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- (CAS 550365-37-2), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: 4-methyl-3-phenylisochromen-1-one.
Chemical Property Profile of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-
Property Insights of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-
The XLogP value of 3.5 indicates that 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- has 0 hydrogen bond donor(s) and 2 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 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-?
The CAS number of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- is 550365-37-2.
What is the molecular formula of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-?
The molecular formula of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- is C16H12O2.
What is the molecular weight of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-?
The molecular weight of 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- is 236.08 g/mol.
Where can I buy 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-?
You can request a quote for 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzopyran-1-one, 4-methyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.