EINECS 301-870-7
TL;DR: EINECS 301-870-7 (CAS 94086-80-3) is a chemical compound with molecular formula C27H54ClNO4 and molecular weight 491.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(2-hydroxy-3-tetradecoxypropyl)-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
Also Known As: EINECS 301-870-7, Diethyl(2-hydroxy-3-(tetradecyloxy)propyl)(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium chloride, diethyl-(2-hydroxy-3-tetradecoxypropyl)-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride, Diethyl[2-hydroxy-3-(tetradecyloxy)propyl)[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride, N,N-Diethyl-2-hydroxy-N-{2-[(2-methylprop-2-enoyl)oxy]ethyl}-3-(tetradecyloxy)propan-1-aminium chloride
| Molecular Formula | C27H54ClNO4 |
|---|---|
| Molecular Weight | 491.37 g/mol |
| LogP | 3.0449 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 491.37415 |
| Heavy Atoms | 33 |
| Complexity | 469.03772 |
Chemical Identifiers
| CAS Number | 94086-80-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOCC(C[N+](CC)(CC)CCOC(=O)C(=C)C)O.[Cl-] |
Product Overview
EINECS 301-870-7 (CAS 94086-80-3), with molecular formula C27H54ClNO4 and molecular weight 491.37 g/mol. IUPAC: diethyl-(2-hydroxy-3-tetradecoxypropyl)-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.
Chemical Property Profile of EINECS 301-870-7
Property Insights of EINECS 301-870-7
The XLogP value of 3.0449 indicates that EINECS 301-870-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, EINECS 301-870-7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 301-870-7 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 301-870-7?
The CAS number of EINECS 301-870-7 is 94086-80-3.
What is the molecular formula of EINECS 301-870-7?
The molecular formula of EINECS 301-870-7 is C27H54ClNO4.
What is the molecular weight of EINECS 301-870-7?
The molecular weight of EINECS 301-870-7 is 491.37 g/mol.
Where can I buy EINECS 301-870-7?
You can request a quote for EINECS 301-870-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-870-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-870-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.