NE 58051
TL;DR: NE 58051 (CAS 104261-69-0) is a chemical compound with molecular formula C8H13NO7P2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
Also Known As: Homorisedronate, Homorisedronic acid, NE 58051, [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid), 3-(3-Pyridyl)-1-hydroxypropylidene bisphosphonic acid
| Molecular Formula | C8H13NO7P2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.01672 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 104261-69-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChIKey | ILROXFQHACCDLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NE 58051 (CAS 104261-69-0), with molecular formula C8H13NO7P2 and molecular weight 297.02 g/mol. IUPAC: (1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid.
Chemical Property Profile of NE 58051
Property Insights of NE 58051
The XLogP value of -2.8 indicates that NE 58051 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting NE 58051 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NE 58051 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
Frequently Asked Questions
What is the CAS number of NE 58051?
The CAS number of NE 58051 is 104261-69-0.
What is the molecular formula of NE 58051?
The molecular formula of NE 58051 is C8H13NO7P2.
What is the molecular weight of NE 58051?
The molecular weight of NE 58051 is 297.02 g/mol.
Where can I buy NE 58051?
You can request a quote for NE 58051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NE 58051?
Yes, KEHONG BIO provides custom synthesis services for NE 58051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.