5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
TL;DR: 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one (CAS 4236-32-2) 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.
5-hydroxy-2,2-dimethyl-3H-chromen-4-one
Also Known As: 5-hydroxy-2,2-dimethylchroman-4-one, 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one, 5-hydroxy-2,2-dimethyl-chroman-4-one, 5-hydroxy-2,2-dimethyl-3H-chromen-4-one, 5-hydroxy-2,2-dimethyl-4-chromanone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.136 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 393.51917 |
Chemical Identifiers
| CAS Number | 4236-32-2 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(C=CC=C2O1)O)C |
Product Overview
5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one (CAS 4236-32-2), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 5-hydroxy-2,2-dimethyl-3H-chromen-4-one.
Chemical Property Profile of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Property Insights of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
The XLogP value of 2.136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one. With a topological polar surface area (TPSA) of 46.53 Ų, 5-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, 5-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 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
The CAS number of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one is 4236-32-2.
What is the molecular formula of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular formula of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one is C11H12O3.
What is the molecular weight of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular weight of 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one is 192.08 g/mol.
Where can I buy 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
You can request a quote for 5-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 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-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.