Tributylamine (dichloromethylene)bis(phosphonate)
TL;DR: Tributylamine (dichloromethylene)bis(phosphonate) (CAS 163706-61-4) is a chemical compound with molecular formula C13H31Cl2NO6P2 and molecular weight 429.10037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dibutylbutan-1-amine;[dichloro(phosphono)methyl]phosphonic acid
Also Known As: Tributylamine (dichloromethylene)bis(phosphonate), Phosphonic acid, tributylamine clodronate, (Dichloromethylene)bis[phosphonic acid] mono(tributylamine) salt, N,N-dibutylbutan-1-amine;[dichloro(phosphono)methyl]phosphonic acid
Technical Specifications
| Molecular Formula | C13H31Cl2NO6P2 |
| Molecular Weight | 429.10037 g/mol |
| XLogP | 4.1194 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 429.10037 Da |
| Heavy Atoms | 24 |
| Complexity | 283.0 |
| SMILES | CCCCN(CCCC)CCCC.C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl |
| InChIKey | NDWFZUQKBXXXGW-UHFFFAOYSA-N |
Chemical Property Profile of Tributylamine (dichloromethylene)bis(phosphonate)
Property Insights of Tributylamine (dichloromethylene)bis(phosphonate)
The XLogP value of 4.1194 indicates that Tributylamine (dichloromethylene)bis(phosphonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tributylamine (dichloromethylene)bis(phosphonate). Following Lipinski's Rule of Five, Tributylamine (dichloromethylene)bis(phosphonate) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tributylamine (dichloromethylene)bis(phosphonate)?
The CAS number of Tributylamine (dichloromethylene)bis(phosphonate) is 163706-61-4.
What is the molecular formula of Tributylamine (dichloromethylene)bis(phosphonate)?
The molecular formula of Tributylamine (dichloromethylene)bis(phosphonate) is C13H31Cl2NO6P2.
What is the molecular weight of Tributylamine (dichloromethylene)bis(phosphonate)?
The molecular weight of Tributylamine (dichloromethylene)bis(phosphonate) is 429.10037 g/mol.
Where can I buy Tributylamine (dichloromethylene)bis(phosphonate)?
You can request a quote for Tributylamine (dichloromethylene)bis(phosphonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tributylamine (dichloromethylene)bis(phosphonate)?
Yes, CoreyChem provides custom synthesis services for Tributylamine (dichloromethylene)bis(phosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.