rac-Balanol
TL;DR: rac-Balanol (CAS 167937-47-5) is a chemical compound with molecular formula C28H26N2O10 and molecular weight 550.15875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2,6-dihydroxy-4-[3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
Also Known As: balanol, rac-Balanol, rac-syn-Balanol, Ophiocordin;Azepinostatin, Balanol Analog 1(+/-)
Technical Specifications
| Molecular Formula | C28H26N2O10 |
| Molecular Weight | 550.15875 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 203.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.15875 Da |
| Heavy Atoms | 40 |
| Complexity | 911.0 |
| SMILES | C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O |
| InChIKey | XYUFCXJZFZPEJD-UHFFFAOYSA-N |
Chemical Property Profile of rac-Balanol
Property Insights of rac-Balanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-Balanol. The TPSA of 203.0 Ų indicates high polarity, suggesting rac-Balanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, rac-Balanol has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of rac-Balanol?
The CAS number of rac-Balanol is 167937-47-5.
What is the molecular formula of rac-Balanol?
The molecular formula of rac-Balanol is C28H26N2O10.
What is the molecular weight of rac-Balanol?
The molecular weight of rac-Balanol is 550.15875 g/mol.
Where can I buy rac-Balanol?
You can request a quote for rac-Balanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for rac-Balanol?
Yes, CoreyChem provides custom synthesis services for rac-Balanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.