Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
TL;DR: Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- (CAS 80584-91-4) is a chemical compound with molecular formula C21H36N6O6 and molecular weight 468.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4,6-bis(5-carboxypentylamino)-1,3,5-triazin-2-yl]amino]hexanoic acid
Also Known As: Irgacor L 190, Belcor 590, Corrosion inhibitor ABC 730, Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, 2,4,6-Tri-(6-aminocaproic acid)-1,3,5-triazine
| Molecular Formula | C21H36N6O6 |
|---|---|
| Molecular Weight | 468.27 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 468.26962 |
| Heavy Atoms | 33 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 80584-91-4 |
|---|---|
| SMILES | C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O |
| InChIKey | BKKWPPMEXIXECW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- (CAS 80584-91-4), with molecular formula C21H36N6O6 and molecular weight 468.27 g/mol. IUPAC: 6-[[4,6-bis(5-carboxypentylamino)-1,3,5-triazin-2-yl]amino]hexanoic acid.
Chemical Property Profile of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
Property Insights of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-. The TPSA of 187.0 Ų indicates high polarity, suggesting Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
The CAS number of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- is 80584-91-4.
What is the molecular formula of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
The molecular formula of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- is C21H36N6O6.
What is the molecular weight of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
The molecular weight of Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- is 468.27 g/mol.
Where can I buy Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
You can request a quote for Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.