Ibandronate
TL;DR: Ibandronate (CAS 114084-78-5) is a chemical compound with molecular formula C9H23NO7P2 and molecular weight 319.09497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
Also Known As: Ibandronic Acid, Ibandronate, Bondronat, Bondenza, Bonviva
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H23NO7P2 |
| Molecular Weight | 319.09497 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 319.09497 Da |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
| Melting Point | 113-115 |
| Solubility | Freely soluble |
| SMILES | CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChIKey | MPBVHIBUJCELCL-UHFFFAOYSA-N |
Chemical Property Profile of Ibandronate
Property Insights of Ibandronate
The XLogP value of -4.1 indicates that Ibandronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibandronate. Following Lipinski's Rule of Five, Ibandronate has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ibandronate?
The CAS number of Ibandronate is 114084-78-5.
What is the molecular formula of Ibandronate?
The molecular formula of Ibandronate is C9H23NO7P2.
What is the molecular weight of Ibandronate?
The molecular weight of Ibandronate is 319.09497 g/mol.
Where can I buy Ibandronate?
You can request a quote for Ibandronate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibandronate?
Yes, CoreyChem provides custom synthesis services for Ibandronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.