phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
TL;DR: phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate (CAS 833434-35-8) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-methyl-1-oxo-4H-isochromene-3-carboxylate
Also Known As: phenyl 3-methyl-1-oxoisochroman-3-carboxylate, phenyl 3-methyl-1-oxoisochromane-3-carboxylate, phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate, phenyl 3-methyl-1-oxo-4H-isochromene-3-carboxylate
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.7638 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 692.9461 |
Chemical Identifiers
| CAS Number | 833434-35-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=CC=CC=C3 |
Product Overview
phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate (CAS 833434-35-8), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: phenyl 3-methyl-1-oxo-4H-isochromene-3-carboxylate.
Chemical Property Profile of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
Property Insights of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
The XLogP value of 2.7638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate?
The CAS number of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate is 833434-35-8.
What is the molecular formula of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate?
The molecular formula of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate is C17H14O4.
What is the molecular weight of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate?
The molecular weight of phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate is 282.09 g/mol.
Where can I buy phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate?
You can request a quote for phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for phenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.