氮杂环庚烷-2,2-二膦酸
TL;DR: 氮杂环庚烷-2,2-二膦酸 (CAS 56269-44-4) is a chemical compound with molecular formula C6H15NO6P2 and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氮杂环庚烷-2,2-二膦酸
(2-phosphonoazepan-2-yl)phosphonic acid
Also Known As: APDP, azacycloheptane-2,2-diphosphonic acid, TURPINAL-AHP, (2-phosphonoazepan-2-yl)phosphonic acid, azepane-2,2-diylbis(phosphonic acid)
| Molecular Formula | C6H15NO6P2 |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.03748 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 56269-44-4 |
|---|---|
| SMILES | C1CCC(NCC1)(P(=O)(O)O)P(=O)(O)O |
| InChIKey | BYOBJKVGOIXVED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氮杂环庚烷-2,2-二膦酸 (CAS 56269-44-4), with molecular formula C6H15NO6P2 and molecular weight 259.04 g/mol. IUPAC: (2-phosphonoazepan-2-yl)phosphonic acid.
Chemical Property Profile of 氮杂环庚烷-2,2-二膦酸
Property Insights of 氮杂环庚烷-2,2-二膦酸
The XLogP value of -4.9 indicates that 氮杂环庚烷-2,2-二膦酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氮杂环庚烷-2,2-二膦酸. Following Lipinski's Rule of Five, 氮杂环庚烷-2,2-二膦酸 has 5 hydrogen bond donor(s) and 7 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 氮杂环庚烷-2,2-二膦酸?
The CAS number of 氮杂环庚烷-2,2-二膦酸 is 56269-44-4.
What is the molecular formula of 氮杂环庚烷-2,2-二膦酸?
The molecular formula of 氮杂环庚烷-2,2-二膦酸 is C6H15NO6P2.
What is the molecular weight of 氮杂环庚烷-2,2-二膦酸?
The molecular weight of 氮杂环庚烷-2,2-二膦酸 is 259.04 g/mol.
Where can I buy 氮杂环庚烷-2,2-二膦酸?
You can request a quote for 氮杂环庚烷-2,2-二膦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氮杂环庚烷-2,2-二膦酸?
Yes, KEHONG BIO provides custom synthesis services for 氮杂环庚烷-2,2-二膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.