NCI60_007863
TL;DR: NCI60_007863 (CAS 790626-91-4) is a chemical compound with molecular formula C41H80NO6+ and molecular weight 682.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium
Also Known As: NCI60_007863, N-[2-(Acetyloxy)ethyl]-1,3-bis(hexadecyloxy)-N,N-dimethyl-1,3-dioxo-2-propanaminium, 2-acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium, N-[2-(Acetyloxy)ethyl]-1,3-bis(hexadecyloxy)-N,N-dimethyl-1,3-dioxopropan-2-aminium
| Molecular Formula | C41H80NO6+ |
|---|---|
| Molecular Weight | 682.60 g/mol |
| LogP | 15.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 39 |
| Exact Mass | 682.5986 |
| Heavy Atoms | 48 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 790626-91-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(=O)C |
| InChIKey | WXRKKIQIMCMNLQ-UHFFFAOYSA-N |
Product Overview
NCI60_007863 (CAS 790626-91-4), with molecular formula C41H80NO6+ and molecular weight 682.60 g/mol. IUPAC: 2-acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium.
Chemical Property Profile of NCI60_007863
Property Insights of NCI60_007863
The XLogP value of 15.7 indicates that NCI60_007863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_007863. Following Lipinski's Rule of Five, NCI60_007863 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_007863?
The CAS number of NCI60_007863 is 790626-91-4.
What is the molecular formula of NCI60_007863?
The molecular formula of NCI60_007863 is C41H80NO6+.
What is the molecular weight of NCI60_007863?
The molecular weight of NCI60_007863 is 682.60 g/mol.
Where can I buy NCI60_007863?
You can request a quote for NCI60_007863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_007863?
Yes, KEHONG BIO provides custom synthesis services for NCI60_007863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.