1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-
TL;DR: 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- (CAS 82301-14-2) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3,4-dihydro-1H-isochromene-5,8-dione
Also Known As: 1-phenyl-3,4-dihydro-1H-isochromene-5,8-dione, 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-, 3,4-dihydro-1H-benzo[c]pyran-5,8-quinone, 1-Phenyl-3,4-dihydro-1H-2-benzopyran-5,8-dione, J1.581.180C
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 82301-14-2 |
|---|---|
| SMILES | C1COC(C2=C1C(=O)C=CC2=O)C3=CC=CC=C3 |
| InChIKey | LHYVUDJXYVKWET-UHFFFAOYSA-N |
Product Overview
1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- (CAS 82301-14-2), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 1-phenyl-3,4-dihydro-1H-isochromene-5,8-dione.
Chemical Property Profile of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-
Property Insights of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- 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 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-?
The CAS number of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- is 82301-14-2.
What is the molecular formula of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-?
The molecular formula of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- is C15H12O3.
What is the molecular weight of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-?
The molecular weight of 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- is 240.08 g/mol.
Where can I buy 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl-?
You can request a quote for 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-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-5,8-dione, 3,4-dihydro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzopyran-5,8-dione, 3,4-dihydro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.