EINECS 272-162-2
TL;DR: EINECS 272-162-2 (CAS 68758-87-2) is a chemical compound with molecular formula C31H30N4O5S2 and molecular weight 602.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
Also Known As: EINECS 272-162-2, 1-Imidazolidineacetic acid, 5-(5-((6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-4-oxo-2-thiazolidinylidene)-4-oxo-3-phenyl-2-thioxo-, 1-Imidazolidineacetic acid, 5-(5-(2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-4-oxo-2-thiazolidinylidene)-4-oxo-3-phenyl-2-thioxo-, 2-(1-(Carboxymethyl)-4-oxo-3-phenyl-2-thioxo-5-imidazolidinylidene)-5-(2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-4-thiazolidinone, 1-Imidazolidineacetic acid, 5-[5-[(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]-4-oxo-3-phenyl-2-thioxo-
| Molecular Formula | C31H30N4O5S2 |
|---|---|
| Molecular Weight | 602.17 g/mol |
| LogP | 3.3726 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 602.1658 |
| Heavy Atoms | 42 |
| Complexity | 1806.3383 |
Chemical Identifiers
| CAS Number | 68758-87-2 |
|---|---|
| SMILES | CCN1/C(=C/C=C\2/C(=O)N(/C(=C/3\C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4)/S2)CC)/C=CC5=C1C=CC(=C5)OCC |
Product Overview
EINECS 272-162-2 (CAS 68758-87-2), with molecular formula C31H30N4O5S2 and molecular weight 602.17 g/mol. IUPAC: 2-[(5Z)-5-[(5Z)-5-[(2E)-2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid.
Chemical Property Profile of EINECS 272-162-2
Property Insights of EINECS 272-162-2
The XLogP value of 3.3726 indicates that EINECS 272-162-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 272-162-2. Following Lipinski's Rule of Five, EINECS 272-162-2 has 1 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 EINECS 272-162-2?
The CAS number of EINECS 272-162-2 is 68758-87-2.
What is the molecular formula of EINECS 272-162-2?
The molecular formula of EINECS 272-162-2 is C31H30N4O5S2.
What is the molecular weight of EINECS 272-162-2?
The molecular weight of EINECS 272-162-2 is 602.17 g/mol.
Where can I buy EINECS 272-162-2?
You can request a quote for EINECS 272-162-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 272-162-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 272-162-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.