7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one
TL;DR: 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one (CAS 50544-72-4) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-2,2,8-trimethyl-3H-chromen-4-one
Also Known As: Maybridge1_006374, 7-HYDROXY-2,2,8-TRIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 7-Hydroxy-2,2,8-trimethylchroman-4-one, 7-hydroxy-2,2,8-trimethyl-3H-chromen-4-one, 7-hydroxy-2,2,8-trimethyl-3,4-dihydro-2H-1-benzopyran-4-one
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.44442 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 432.73853 |
Chemical Identifiers
| CAS Number | 50544-72-4 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(CC2=O)(C)C)O |
Product Overview
7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one (CAS 50544-72-4), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 7-hydroxy-2,2,8-trimethyl-3H-chromen-4-one.
Chemical Property Profile of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Property Insights of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one
The XLogP value of 2.44442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one. With a topological polar surface area (TPSA) of 46.53 Ų, 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-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-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one?
The CAS number of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one is 50544-72-4.
What is the molecular formula of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one?
The molecular formula of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one is C12H14O3.
What is the molecular weight of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one?
The molecular weight of 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one is 206.09 g/mol.
Where can I buy 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one?
You can request a quote for 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-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-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.