4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid
TL;DR: 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid (CAS 104361-73-1) is a chemical compound with molecular formula C6H17NO7P2 and molecular weight 277.04803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(dimethylamino)-1-hydroxy-1-phosphonobutyl]phosphonic acid
Also Known As: 4Me2ABD, 4-N,N-Dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid, [4-(dimethylamino)-1-hydroxy-1-phosphonobutyl]phosphonic acid, J3.038.581K, Phosphonic acid,[4-(dimethylamino)-1-hydroxybutylidene]bis- (9CI)
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H17NO7P2 |
| Molecular Weight | 277.04803 g/mol |
| XLogP | -5.6 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.04803 Da |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
| SMILES | CN(C)CCCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChIKey | VYDQNPISZFUMRU-UHFFFAOYSA-N |
Chemical Property Profile of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid
Property Insights of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid
The XLogP value of -5.6 indicates that 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid. Following Lipinski's Rule of Five, 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid 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
What is the CAS number of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid?
The CAS number of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid is 104361-73-1.
What is the molecular formula of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid?
The molecular formula of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid is C6H17NO7P2.
What is the molecular weight of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid?
The molecular weight of 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid is 277.04803 g/mol.
Where can I buy 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid?
You can request a quote for 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid?
Yes, CoreyChem provides custom synthesis services for 4-N,N-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.