RefChem:138041
TL;DR: RefChem:138041 (CAS 72102-72-8) is a chemical compound with molecular formula C62H127N7O12S and molecular weight 1193.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[4,6-bis[icosoxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-ethyl-bis(2-hydroxyethyl)azanium;ethyl sulfate
Also Known As: Ethanaminium, 2-(((4,6-bis(((eicosyloxy)methyl)(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methoxy)-N-ethyl-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (salt), Ethanaminium, 2-(((4,6-bis(((eicosyloxy)methyl)(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methoxy)-N-ethyl-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (1:1), Ethanaminium, 2-[[[4,6-bis[[(eicosyloxy)methyl](methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methoxy]-N-ethyl-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (1:1), Ethanaminium, 2-[[[4,6-bis[[(eicosyloxy)methyl](methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methoxy]-N-ethyl-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (salt), 2-[[[4,6-bis[icosoxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-ethyl-bis(2-hydroxyethyl)azanium,ethyl sulfate
| Molecular Formula | C62H127N7O12S |
|---|---|
| Molecular Weight | 1193.93 g/mol |
| LogP | 13.4126 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 62 |
| Exact Mass | 1193.9264 |
| Heavy Atoms | 82 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 72102-72-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COC)COCC[N+](CC)(CCO)CCO)N(COC)COCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | IBSNPZJNGMQHKJ-UHFFFAOYSA-M |
Product Overview
RefChem:138041 (CAS 72102-72-8), with molecular formula C62H127N7O12S and molecular weight 1193.93 g/mol. IUPAC: 2-[[[4,6-bis[icosoxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-ethyl-bis(2-hydroxyethyl)azanium;ethyl sulfate.
Chemical Property Profile of RefChem:138041
Property Insights of RefChem:138041
The XLogP value of 13.4126 indicates that RefChem:138041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:138041 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138041 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138041?
The CAS number of RefChem:138041 is 72102-72-8.
What is the molecular formula of RefChem:138041?
The molecular formula of RefChem:138041 is C62H127N7O12S.
What is the molecular weight of RefChem:138041?
The molecular weight of RefChem:138041 is 1193.93 g/mol.
Where can I buy RefChem:138041?
You can request a quote for RefChem:138041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.