2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-
TL;DR: 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- (CAS 29598-22-9) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3H-chromen-2-one
Also Known As: Gliquidone Impurity 20, 4,4-dimethyl-3H-chromen-2-one, 4,4-Dimethyl-2-oxo-chroman, 4.4-Dimethyl-2-oxo-chroman, 4,4-Dimethyl-2-chromanone #
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 29598-22-9 |
|---|---|
| SMILES | CC1(CC(=O)OC2=CC=CC=C21)C |
| InChIKey | ZBSFDCKGUFSQLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- (CAS 29598-22-9), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 4,4-dimethyl-3H-chromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-
Property Insights of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 26.3 Ų, 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- 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 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-?
The CAS number of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- is 29598-22-9.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- is C11H12O2.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- is 176.08 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.