RefChem:855541
TL;DR: RefChem:855541 (CAS 68413-84-3) is a chemical compound with molecular formula C32H62N6O7 and molecular weight 642.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methyl octadecanoate
Also Known As: Octadecanoic acid, [[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl ester, Octadecanoic acid, ((4,6-bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methyl ester, ((4,6-Bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methyl stearate, [[4,6-bis[bis amino]-1,3,5-triazin-2-yl] amino]methylstearate, [[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl stearate
| Molecular Formula | C32H62N6O7 |
|---|---|
| Molecular Weight | 642.47 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 32 |
| Exact Mass | 642.468 |
| Heavy Atoms | 45 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 68413-84-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC |
| InChIKey | KQVFVDOZFFPYHG-UHFFFAOYSA-N |
Product Overview
RefChem:855541 (CAS 68413-84-3), with molecular formula C32H62N6O7 and molecular weight 642.47 g/mol. IUPAC: [[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methyl octadecanoate.
Chemical Property Profile of RefChem:855541
Property Insights of RefChem:855541
The XLogP value of 9.5 indicates that RefChem:855541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:855541. Following Lipinski's Rule of Five, RefChem:855541 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:855541?
The CAS number of RefChem:855541 is 68413-84-3.
What is the molecular formula of RefChem:855541?
The molecular formula of RefChem:855541 is C32H62N6O7.
What is the molecular weight of RefChem:855541?
The molecular weight of RefChem:855541 is 642.47 g/mol.
Where can I buy RefChem:855541?
You can request a quote for RefChem:855541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:855541?
Yes, KEHONG BIO provides custom synthesis services for RefChem:855541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.