1,1-Diphosphonooctylamine
TL;DR: 1,1-Diphosphonooctylamine (CAS 15049-89-5) is a chemical compound with molecular formula C8H21NO6P2 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-1-phosphonooctyl)phosphonic acid
Also Known As: 1,1-diphosphonooctylamine, 15049-89-5 (free acid), LABOTEST-BB LT00408932, (1-amino-1-phosphonooctyl)phosphonic acid, (1-AMINO-1-PHOSPHONO-OCTYL)-PHOSPHONIC ACID
| Molecular Formula | C8H21NO6P2 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 1.3148 |
| Topological Polar Surface Area | 141.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.0844 |
| Heavy Atoms | 17 |
| Complexity | 299.97708 |
Chemical Identifiers
| CAS Number | 15049-89-5 |
|---|---|
| SMILES | CCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O |
Product Overview
1,1-Diphosphonooctylamine (CAS 15049-89-5), with molecular formula C8H21NO6P2 and molecular weight 289.08 g/mol. IUPAC: (1-amino-1-phosphonooctyl)phosphonic acid.
Chemical Property Profile of 1,1-Diphosphonooctylamine
Property Insights of 1,1-Diphosphonooctylamine
The XLogP value of 1.3148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diphosphonooctylamine. The TPSA of 141.08 Ų indicates high polarity, suggesting 1,1-Diphosphonooctylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1-Diphosphonooctylamine has 5 hydrogen bond donor(s) and 3 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 1,1-Diphosphonooctylamine?
The CAS number of 1,1-Diphosphonooctylamine is 15049-89-5.
What is the molecular formula of 1,1-Diphosphonooctylamine?
The molecular formula of 1,1-Diphosphonooctylamine is C8H21NO6P2.
What is the molecular weight of 1,1-Diphosphonooctylamine?
The molecular weight of 1,1-Diphosphonooctylamine is 289.08 g/mol.
Where can I buy 1,1-Diphosphonooctylamine?
You can request a quote for 1,1-Diphosphonooctylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diphosphonooctylamine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diphosphonooctylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.