sofalcone
TL;DR: sofalcone (CAS 64506-49-6) is a chemical compound with molecular formula C27H30O6 and molecular weight 450.20422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(3-methylbut-2-enoxy)-2-[3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoyl]phenoxy]acetic acid
Also Known As: sofalcone, 2'-carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone, 2-[5-(3-methylbut-2-enoxy)-2-[3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoyl]phenoxy]acetic acid, {5-[(3-methylbut-2-en-1-yl)oxy]-2-(3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}acryloyl)phenoxy}acetic acid, {5-[(3-Methylbut-2-en-1-yl)oxy]-2-(3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl)phenoxy}acetic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H30O6 |
| Molecular Weight | 450.20422 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 450.20422 Da |
| Heavy Atoms | 33 |
| Complexity | 706.0 |
| SMILES | CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C |
| InChIKey | GFWRVVCDTLRWPK-UHFFFAOYSA-N |
Product Description
Applications: sofalcone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, sofalcone (CAS 64506-49-6) has the molecular formula C27H30O6 and a molecular weight of 450.2 g/mol. Synonyms include sofalcone and KS-00000H2U.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of sofalcone
Property Insights of sofalcone
The XLogP value of 6.2 indicates that sofalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for sofalcone. Following Lipinski's Rule of Five, sofalcone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of sofalcone?
The CAS number of sofalcone is 64506-49-6.
What is the molecular formula of sofalcone?
The molecular formula of sofalcone is C27H30O6.
What is the molecular weight of sofalcone?
The molecular weight of sofalcone is 450.20422 g/mol.
What are the applications of sofalcone?
sofalcone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy sofalcone?
You can request a quote for sofalcone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for sofalcone?
Yes, CoreyChem provides custom synthesis services for sofalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.