3,4-Dihydroisocoumarin
TL;DR: 3,4-Dihydroisocoumarin (CAS 4702-34-5) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroisochromen-1-one
Also Known As: isochroman-1-one, 3,4-Dihydro-1H-2-benzopyran-1-one, Dihydroisocoumarin, 1-isochromanone, 3,4-dihydroisocoumarin
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 4702-34-5 |
|---|---|
| SMILES | C1COC(=O)C2=CC=CC=C21 |
| InChIKey | XVTAQSGZOGYIEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydroisocoumarin (CAS 4702-34-5), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 3,4-dihydroisochromen-1-one.
Chemical Property Profile of 3,4-Dihydroisocoumarin
Property Insights of 3,4-Dihydroisocoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroisocoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Dihydroisocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroisocoumarin 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 3,4-Dihydroisocoumarin?
The CAS number of 3,4-Dihydroisocoumarin is 4702-34-5.
What is the molecular formula of 3,4-Dihydroisocoumarin?
The molecular formula of 3,4-Dihydroisocoumarin is C9H8O2.
What is the molecular weight of 3,4-Dihydroisocoumarin?
The molecular weight of 3,4-Dihydroisocoumarin is 148.05 g/mol.
Where can I buy 3,4-Dihydroisocoumarin?
You can request a quote for 3,4-Dihydroisocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroisocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroisocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.