RefChem:174410
TL;DR: RefChem:174410 (CAS 65060-30-2) is a chemical compound with molecular formula C42H84N2O7S and molecular weight 760.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-hexadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl hexadecanoate;methanesulfonate
Also Known As: 1,4-bis[2-(hexadecanoyloxy)ethyl]-1-methylpiperazin-1-ium methanesulfonate, 6-cyclohexyl-5,7-dihydrobenzo[d][2]benzazepine, 6-Cyclohexyl-6,7-dihydro-5H-dibenz(c,e)azepine, Piperazinium, 1-methyl-1,4-bis(2-((1-oxohexadecyl)oxy)ethyl)-, methyl sulfate, Piperazinium, 1-methyl-1,4-bis(2-((1-oxohexadecyl)oxy)ethyl)-, methyl sulfate (1:1)
| Molecular Formula | C42H84N2O7S |
|---|---|
| Molecular Weight | 760.60 g/mol |
| LogP | 9.96 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 36 |
| Exact Mass | 760.5999 |
| Heavy Atoms | 52 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 65060-30-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCC.CS(=O)(=O)[O-] |
| InChIKey | JIFOSVGZFNNVPR-UHFFFAOYSA-M |
Product Overview
RefChem:174410 (CAS 65060-30-2), with molecular formula C42H84N2O7S and molecular weight 760.60 g/mol. IUPAC: 2-[4-(2-hexadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl hexadecanoate;methanesulfonate.
Chemical Property Profile of RefChem:174410
Property Insights of RefChem:174410
The XLogP value of 9.96 indicates that RefChem:174410 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:174410. Following Lipinski's Rule of Five, RefChem:174410 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:174410?
The CAS number of RefChem:174410 is 65060-30-2.
What is the molecular formula of RefChem:174410?
The molecular formula of RefChem:174410 is C42H84N2O7S.
What is the molecular weight of RefChem:174410?
The molecular weight of RefChem:174410 is 760.60 g/mol.
Where can I buy RefChem:174410?
You can request a quote for RefChem:174410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:174410?
Yes, KEHONG BIO provides custom synthesis services for RefChem:174410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.