Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester
TL;DR: Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester (CAS 101976-60-7) is a chemical compound with molecular formula C13H27N4O3P and molecular weight 318.18207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-dipropoxyphosphoryl-5-pentyl-1,2,4-triazol-3-amine
Also Known As: WP167, Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester, Dipropyl ((5-amino-3-pentyl)-1H-1,2,4-triazol-1-yl)phosphonate, ((5-Amino-3-pentyl)-1H-1,2,4-triazol-1-yl)phosphonic acid, dipropyl ester, 2-dipropoxyphosphoryl-5-pentyl-1,2,4-triazol-3-amine
Technical Specifications
| Molecular Formula | C13H27N4O3P |
| Molecular Weight | 318.18207 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 318.18207 Da |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
| SMILES | CCCCCC1=NN(C(=N1)N)P(=O)(OCCC)OCCC |
| InChIKey | AVLYOHASPUHGHK-UHFFFAOYSA-N |
Chemical Property Profile of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester
Property Insights of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester
The XLogP value of 3.8 indicates that Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
The CAS number of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester is 101976-60-7.
What is the molecular formula of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
The molecular formula of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester is C13H27N4O3P.
What is the molecular weight of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
The molecular weight of Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester is 318.18207 g/mol.
Where can I buy Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
You can request a quote for Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphonic acid, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-, dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.