Neridronate
TL;DR: Neridronate (CAS 79778-41-9) is a chemical compound with molecular formula C6H17NO7P2 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid
Also Known As: Neridronic acid, Neridronate, Nerixia, Acido neridronico, Acide neridronique
| Molecular Formula | C6H17NO7P2 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.04803 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 79778-41-9 |
|---|---|
| SMILES | C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN |
| InChIKey | PUUSSSIBPPTKTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neridronate (CAS 79778-41-9), with molecular formula C6H17NO7P2 and molecular weight 277.05 g/mol. IUPAC: (6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid.
Chemical Property Profile of Neridronate
Property Insights of Neridronate
The XLogP value of -5.8 indicates that Neridronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Neridronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neridronate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neridronate?
The CAS number of Neridronate is 79778-41-9.
What is the molecular formula of Neridronate?
The molecular formula of Neridronate is C6H17NO7P2.
What is the molecular weight of Neridronate?
The molecular weight of Neridronate is 277.05 g/mol.
Where can I buy Neridronate?
You can request a quote for Neridronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neridronate?
Yes, KEHONG BIO provides custom synthesis services for Neridronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.