Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester
TL;DR: Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester (CAS 101976-61-8) is a chemical compound with molecular formula C8H17N4O3P and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dipropoxyphosphoryl-1,2,4-triazol-3-amine
Also Known As: WP171, 2-dipropoxyphosphoryl-1,2,4-triazol-3-amine, Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester, ((5-Amino)-1H-1,2,4-triazol-1-yl)phosphonic acid dipropyl ester, dipropyl (5-amino-1H-1,2,4-triazol-1-yl)phosphonate
| Molecular Formula | C8H17N4O3P |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 1.6697 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.10382 |
| Heavy Atoms | 16 |
| Complexity | 355.92032 |
Chemical Identifiers
| CAS Number | 101976-61-8 |
|---|---|
| SMILES | CCCOP(=O)(N1C(=NC=N1)N)OCCC |
Product Overview
Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester (CAS 101976-61-8), with molecular formula C8H17N4O3P and molecular weight 248.10 g/mol. IUPAC: 2-dipropoxyphosphoryl-1,2,4-triazol-3-amine.
Chemical Property Profile of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester
Property Insights of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester
The XLogP value of 1.6697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (5-amino-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
Frequently Asked Questions
What is the CAS number of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
The CAS number of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester is 101976-61-8.
What is the molecular formula of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
The molecular formula of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester is C8H17N4O3P.
What is the molecular weight of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
The molecular weight of Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester is 248.10 g/mol.
Where can I buy Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
You can request a quote for Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (5-amino-1H-1,2,4-triazol-1-yl)-, dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.