Calystegine B2
TL;DR: Calystegine B2 (CAS 127414-85-1) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Also Known As: Calystegine B2, Nortropanoline, Calystegin B2, Calystegine B(2), Calystegine B(3)
Technical Specifications
| Molecular Formula | C7H13NO4 |
| Molecular Weight | 175.08446 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 93.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.08446 Da |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
| SMILES | C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O |
| InChIKey | FXFBVZOJVHCEDO-IBISWUOJSA-N |
Chemical Property Profile of Calystegine B2
Property Insights of Calystegine B2
The XLogP value of -2.4 indicates that Calystegine B2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calystegine B2. Following Lipinski's Rule of Five, Calystegine B2 has 5 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 Calystegine B2?
The CAS number of Calystegine B2 is 127414-85-1.
What is the molecular formula of Calystegine B2?
The molecular formula of Calystegine B2 is C7H13NO4.
What is the molecular weight of Calystegine B2?
The molecular weight of Calystegine B2 is 175.08446 g/mol.
Where can I buy Calystegine B2?
You can request a quote for Calystegine B2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calystegine B2?
Yes, CoreyChem provides custom synthesis services for Calystegine B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.