N,N',N''-Triheptylphosphorothioic triamide
TL;DR: N,N',N''-Triheptylphosphorothioic triamide (CAS 59287-65-9) is a chemical compound with molecular formula C21H48N3PS and molecular weight 405.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-bis(heptylamino)phosphinothioylheptan-1-amine
Also Known As: 2-bromo-N-p-tolyl-acetamide, N,N',N''-TRIHEPTYLPHOSPHOROTHIOIC TRIAMIDE, N,N''-TRIHEPTYLPHOSPHOROTHIOIC TRIAMIDE, N-bis(heptylamino)phosphinothioylheptan-1-amine, Phosphorothioictriamide, N,N',N''-triheptyl- (9CI)
| Molecular Formula | C21H48N3PS |
|---|---|
| Molecular Weight | 405.33 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 405.33066 |
| Heavy Atoms | 26 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 59287-65-9 |
|---|---|
| SMILES | CCCCCCCNP(=S)(NCCCCCCC)NCCCCCCC |
| InChIKey | QTKCBIQHBNNKFY-UHFFFAOYSA-N |
Product Overview
N,N',N''-Triheptylphosphorothioic triamide (CAS 59287-65-9), with molecular formula C21H48N3PS and molecular weight 405.33 g/mol. IUPAC: N-bis(heptylamino)phosphinothioylheptan-1-amine.
Chemical Property Profile of N,N',N''-Triheptylphosphorothioic triamide
Property Insights of N,N',N''-Triheptylphosphorothioic triamide
The XLogP value of 9.0 indicates that N,N',N''-Triheptylphosphorothioic triamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N',N''-Triheptylphosphorothioic triamide. Following Lipinski's Rule of Five, N,N',N''-Triheptylphosphorothioic triamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N',N''-Triheptylphosphorothioic triamide?
The CAS number of N,N',N''-Triheptylphosphorothioic triamide is 59287-65-9.
What is the molecular formula of N,N',N''-Triheptylphosphorothioic triamide?
The molecular formula of N,N',N''-Triheptylphosphorothioic triamide is C21H48N3PS.
What is the molecular weight of N,N',N''-Triheptylphosphorothioic triamide?
The molecular weight of N,N',N''-Triheptylphosphorothioic triamide is 405.33 g/mol.
Where can I buy N,N',N''-Triheptylphosphorothioic triamide?
You can request a quote for N,N',N''-Triheptylphosphorothioic triamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N',N''-Triheptylphosphorothioic triamide?
Yes, KEHONG BIO provides custom synthesis services for N,N',N''-Triheptylphosphorothioic triamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.