Combretastatin B-3
TL;DR: Combretastatin B-3 (CAS 116518-76-4) is a chemical compound with molecular formula C17H20O5 and molecular weight 304.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
Also Known As: Combretastatin B-3, Combretastatin B3, 4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol, 1,2-Benzenediol,4-(2-(3,4,5-trimethoxyphenyl)ethyl), 4-(2-(3,4,5-Trimethoxyphenyl)ethyl)benzene-1,2-diol
Technical Specifications
| Molecular Formula | C17H20O5 |
| Molecular Weight | 304.13107 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.13107 Da |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC2=CC(=C(C=C2)O)O |
| InChIKey | SFWXNQDSPCKFAW-UHFFFAOYSA-N |
Chemical Property Profile of Combretastatin B-3
Property Insights of Combretastatin B-3
The XLogP value of 3.3 indicates that Combretastatin B-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Combretastatin B-3. Following Lipinski's Rule of Five, Combretastatin B-3 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Combretastatin B-3?
The CAS number of Combretastatin B-3 is 116518-76-4.
What is the molecular formula of Combretastatin B-3?
The molecular formula of Combretastatin B-3 is C17H20O5.
What is the molecular weight of Combretastatin B-3?
The molecular weight of Combretastatin B-3 is 304.13107 g/mol.
Where can I buy Combretastatin B-3?
You can request a quote for Combretastatin B-3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Combretastatin B-3?
Yes, CoreyChem provides custom synthesis services for Combretastatin B-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.