C27H52N3O2.C2H5O4S
TL;DR: C27H52N3O2.C2H5O4S (CAS 67633-73-2) is a chemical compound with molecular formula C29H57N3O6S and molecular weight 575.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate
Also Known As: N-Oleylamidoethyl-N-cyanoethyl-N-ethyl-N-ethanol ammonium ethosulfate, Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)-, ethyl sulfate (1:1), Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-(((9Z)-1-oxo-9-octadecenyl)amino)-, ethyl sulfate (salt), Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-[(1-oxo-9-octadecenyl)amino]-, (Z)-, ethyl sulfate (salt), Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-[[(9Z)-1-oxo-9-octadecenyl]amino]-, ethyl sulfate (salt)
| Molecular Formula | C29H57N3O6S |
|---|---|
| Molecular Weight | 575.40 g/mol |
| LogP | 5.37 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 575.3968 |
| Heavy Atoms | 39 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 67633-73-2 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO.CCOS(=O)(=O)[O-] |
| InChIKey | HJBZPJPIIBZTDV-UHFFFAOYSA-N |
Product Overview
C27H52N3O2.C2H5O4S (CAS 67633-73-2), with molecular formula C29H57N3O6S and molecular weight 575.40 g/mol. IUPAC: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate.
Chemical Property Profile of C27H52N3O2.C2H5O4S
Property Insights of C27H52N3O2.C2H5O4S
The XLogP value of 5.37 indicates that C27H52N3O2.C2H5O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting C27H52N3O2.C2H5O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C27H52N3O2.C2H5O4S has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H52N3O2.C2H5O4S?
The CAS number of C27H52N3O2.C2H5O4S is 67633-73-2.
What is the molecular formula of C27H52N3O2.C2H5O4S?
The molecular formula of C27H52N3O2.C2H5O4S is C29H57N3O6S.
What is the molecular weight of C27H52N3O2.C2H5O4S?
The molecular weight of C27H52N3O2.C2H5O4S is 575.40 g/mol.
Where can I buy C27H52N3O2.C2H5O4S?
You can request a quote for C27H52N3O2.C2H5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H52N3O2.C2H5O4S?
Yes, KEHONG BIO provides custom synthesis services for C27H52N3O2.C2H5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.