4,4-Dimethylisochroman-1,3-dione
TL;DR: 4,4-Dimethylisochroman-1,3-dione (CAS 31952-55-3) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylisochromene-1,3-dione
Also Known As: 4,4-Dimethylisochroman-1,3-dione, 4,4-dimethylisochromene-1,3-dione, 4,4-dimethylisochromane-1,3-dione, Benz[c]pyran-1,3-dione, 4,4-dimethyl-, 4,4-Dimethyl-isochroman-1,3-dion
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 31952-55-3 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(=O)OC1=O)C |
| InChIKey | CIUOWARHXCWCAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethylisochroman-1,3-dione (CAS 31952-55-3), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 4,4-dimethylisochromene-1,3-dione.
Chemical Property Profile of 4,4-Dimethylisochroman-1,3-dione
Property Insights of 4,4-Dimethylisochroman-1,3-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethylisochroman-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 4,4-Dimethylisochroman-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethylisochroman-1,3-dione 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 4,4-Dimethylisochroman-1,3-dione?
The CAS number of 4,4-Dimethylisochroman-1,3-dione is 31952-55-3.
What is the molecular formula of 4,4-Dimethylisochroman-1,3-dione?
The molecular formula of 4,4-Dimethylisochroman-1,3-dione is C11H10O3.
What is the molecular weight of 4,4-Dimethylisochroman-1,3-dione?
The molecular weight of 4,4-Dimethylisochroman-1,3-dione is 190.06 g/mol.
Where can I buy 4,4-Dimethylisochroman-1,3-dione?
You can request a quote for 4,4-Dimethylisochroman-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethylisochroman-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylisochroman-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.