BQ-123 sodium salt
TL;DR: BQ-123 sodium salt (CAS 136655-57-7) is a chemical compound with molecular formula C31H42N6O7 and molecular weight 610.3115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Also Known As: BQ-123 sodium salt, Cyclo(D-trp-D-asp-pro-D-val-leu), PED-3512-PI, BQ123, BRD-A59961917-001-01-0
Technical Specifications
| Molecular Formula | C31H42N6O7 |
| Molecular Weight | 610.3115 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 610.3115 Da |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
| SMILES | CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43 |
| InChIKey | VYCMAAOURFJIHD-UHFFFAOYSA-N |
Chemical Property Profile of BQ-123 sodium salt
Property Insights of BQ-123 sodium salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BQ-123 sodium salt. The TPSA of 190.0 Ų indicates high polarity, suggesting BQ-123 sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BQ-123 sodium salt has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BQ-123 sodium salt?
The CAS number of BQ-123 sodium salt is 136655-57-7.
What is the molecular formula of BQ-123 sodium salt?
The molecular formula of BQ-123 sodium salt is C31H42N6O7.
What is the molecular weight of BQ-123 sodium salt?
The molecular weight of BQ-123 sodium salt is 610.3115 g/mol.
Where can I buy BQ-123 sodium salt?
You can request a quote for BQ-123 sodium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BQ-123 sodium salt?
Yes, CoreyChem provides custom synthesis services for BQ-123 sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.