(Butyl(ethyl)amino)methylenediphosphonic acid
TL;DR: (Butyl(ethyl)amino)methylenediphosphonic acid (CAS 71066-27-8) is a chemical compound with molecular formula C7H19NO6P2 and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[butyl(ethyl)amino]-phosphonomethyl]phosphonic acid
Also Known As: (BUTYL(ETHYL)AMINO)METHYLENEDIPHOSPHONIC ACID, [[butyl(ethyl)amino]-phosphonomethyl]phosphonic acid, {[Butyl(ethyl)amino]methylene}bis(phosphonic acid), [(butyl-ethyl-amino)-phosphono-methyl]phosphonic Acid, (butylethyl)aminomethylene-1,1-bisphosphonate (hydrate)
| Molecular Formula | C7H19NO6P2 |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 0.7474 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.06876 |
| Heavy Atoms | 16 |
| Complexity | 275.25217 |
Chemical Identifiers
| CAS Number | 71066-27-8 |
|---|---|
| SMILES | CCCCN(CC)C(P(=O)(O)O)P(=O)(O)O |
Product Overview
(Butyl(ethyl)amino)methylenediphosphonic acid (CAS 71066-27-8), with molecular formula C7H19NO6P2 and molecular weight 275.07 g/mol. IUPAC: [[butyl(ethyl)amino]-phosphonomethyl]phosphonic acid.
Chemical Property Profile of (Butyl(ethyl)amino)methylenediphosphonic acid
Property Insights of (Butyl(ethyl)amino)methylenediphosphonic acid
The XLogP value of 0.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Butyl(ethyl)amino)methylenediphosphonic acid. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Butyl(ethyl)amino)methylenediphosphonic acid. Following Lipinski's Rule of Five, (Butyl(ethyl)amino)methylenediphosphonic acid has 4 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 (Butyl(ethyl)amino)methylenediphosphonic acid?
The CAS number of (Butyl(ethyl)amino)methylenediphosphonic acid is 71066-27-8.
What is the molecular formula of (Butyl(ethyl)amino)methylenediphosphonic acid?
The molecular formula of (Butyl(ethyl)amino)methylenediphosphonic acid is C7H19NO6P2.
What is the molecular weight of (Butyl(ethyl)amino)methylenediphosphonic acid?
The molecular weight of (Butyl(ethyl)amino)methylenediphosphonic acid is 275.07 g/mol.
Where can I buy (Butyl(ethyl)amino)methylenediphosphonic acid?
You can request a quote for (Butyl(ethyl)amino)methylenediphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Butyl(ethyl)amino)methylenediphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (Butyl(ethyl)amino)methylenediphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.