sofalcone
TL;DR: sofalcone (CAS 64506-49-6) is a chemical compound with molecular formula C27H30O6 and molecular weight 450.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C27H30O6 |
|---|---|
| Molecular Weight | 450.20 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 450.20422 |
| Heavy Atoms | 33 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 64506-49-6 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
sofalcone (CAS 64506-49-6), with molecular formula C27H30O6 and molecular weight 450.20 g/mol. IUPAC: 2-[5-(3-methylbut-2-enoxy)-2-[3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoyl]phenoxy]acetic acid.
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
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 450.20 g/mol.
Where can I buy sofalcone?
You can request a quote for sofalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sofalcone?
Yes, KEHONG BIO provides custom synthesis services for sofalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.