4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one
TL;DR: 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one (CAS 98122-97-5) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2,3-dimethoxy-4-phenylcyclobut-2-en-1-one
Also Known As: NCI60_007652, 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one, J3.029.918C, 2,3-dimethoxy-4-hydroxy-4-phenyl-2-cyclobuten-1-one, 4-hydroxy-2,3-dimethoxy-4-phenylcyclobut-2-en-1-one
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 98122-97-5 |
|---|---|
| SMILES | COC1=C(C(C1=O)(C2=CC=CC=C2)O)OC |
| InChIKey | RQMAAUOGFOJALV-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one (CAS 98122-97-5), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 4-hydroxy-2,3-dimethoxy-4-phenylcyclobut-2-en-1-one.
Chemical Property Profile of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one
Property Insights of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one. With a topological polar surface area (TPSA) of 55.8 Ų, 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one has 1 hydrogen bond donor(s) and 4 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 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one?
The CAS number of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one is 98122-97-5.
What is the molecular formula of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one?
The molecular formula of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one is C12H12O4.
What is the molecular weight of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one?
The molecular weight of 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one is 220.07 g/mol.
Where can I buy 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one?
You can request a quote for 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.