7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
TL;DR: 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one (CAS 17771-33-4) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-2,2-dimethyl-3H-chromen-4-one
Also Known As: 7-hydroxy-2,2-dimethylchroman-4-one, 7-Hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one, 7-hydroxy-2,2-dimethyl-3H-chromen-4-one, 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one, MEGxp0_001835
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 17771-33-4 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C=C(C=C2)O)C |
| InChIKey | PHEWNYMTGPOCOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one (CAS 17771-33-4), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 7-hydroxy-2,2-dimethyl-3H-chromen-4-one.
Chemical Property Profile of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Property Insights of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one. With a topological polar surface area (TPSA) of 46.5 Ų, 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one has 1 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 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
The CAS number of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one is 17771-33-4.
What is the molecular formula of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular formula of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one is C11H12O3.
What is the molecular weight of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular weight of 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one is 192.08 g/mol.
Where can I buy 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
You can request a quote for 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.