6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one
TL;DR: 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one (CAS 29423-72-1) 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.
6-hydroxy-4,4-dimethyl-3H-chromen-2-one
Also Known As: 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one, 6-hydroxy-4,4-dimethyl-3H-chromen-2-one, 6-Hydroxy-4,4-dimethyl-2-chromanone #, Coumarin-6-ol, 3,4-dihydro-4,4-dimethyl-, 3,4-dihydro-4,4-dimethyl-6-hydroxycoumarin
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.2 |
| 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 | 29423-72-1 |
|---|---|
| SMILES | CC1(CC(=O)OC2=C1C=C(C=C2)O)C |
| InChIKey | UKYURFSTLUGMPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one (CAS 29423-72-1), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 6-hydroxy-4,4-dimethyl-3H-chromen-2-one.
Chemical Property Profile of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one
Property Insights of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-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 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one?
The CAS number of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one is 29423-72-1.
What is the molecular formula of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one?
The molecular formula of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one is C11H12O3.
What is the molecular weight of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one?
The molecular weight of 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one is 192.08 g/mol.
Where can I buy 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one?
You can request a quote for 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.