3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole
TL;DR: 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole (CAS 78218-53-8) is a chemical compound with molecular formula C13H29N6OP and molecular weight 316.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(dimethylamino)phosphoryl]-5-heptyl-1,2,4-triazol-3-amine
Also Known As: 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole, 3-Amino-2-(bis(dimethylamino)phosphoryl-5-heptyl)-1,2,4-triazole, 3-Amino-2-(bis(dimethylamine)phosphoryl-5-heptyl)-1,2,4-triazole, Phosphonic diamide, (5-amino-3-heptyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl, ((5-Amino-3-heptyl)-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethylphosphonic diamide
| Molecular Formula | C13H29N6OP |
|---|---|
| Molecular Weight | 316.21 g/mol |
| LogP | 2.4526 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.21405 |
| Heavy Atoms | 21 |
| Complexity | 473.00607 |
Chemical Identifiers
| CAS Number | 78218-53-8 |
|---|---|
| SMILES | CCCCCCCC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C |
Product Overview
3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole (CAS 78218-53-8), with molecular formula C13H29N6OP and molecular weight 316.21 g/mol. IUPAC: 2-[bis(dimethylamino)phosphoryl]-5-heptyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole
Property Insights of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole
The XLogP value of 2.4526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole. Following Lipinski's Rule of Five, 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole has 1 hydrogen bond donor(s) and 4 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 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole?
The CAS number of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole is 78218-53-8.
What is the molecular formula of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole?
The molecular formula of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole is C13H29N6OP.
What is the molecular weight of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole?
The molecular weight of 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole is 316.21 g/mol.
Where can I buy 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole?
You can request a quote for 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-(bis(dimethylamide)phosphoryl-5-heptyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.