Etomidate Impurity 23
TL;DR: Etomidate Impurity 23 (CAS 112421-33-7) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(1S)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate
Also Known As: Etomidate Impurity 23, Etomidate impurity 61, Etomidate Impurity 18, Etomidate Impurity 20, ethyl (S)-3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 3.33169 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 615.8762 |
Chemical Identifiers
| CAS Number | 112421-33-7 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=S)N1[C@@H](C)C2=CC=CC=C2 |
Product Overview
Etomidate Impurity 23 (CAS 112421-33-7), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: ethyl 3-[(1S)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate.
Chemical Property Profile of Etomidate Impurity 23
Property Insights of Etomidate Impurity 23
The XLogP value of 3.33169 indicates that Etomidate Impurity 23 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, Etomidate Impurity 23 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etomidate Impurity 23 has 1 hydrogen bond donor(s) and 3 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 Etomidate Impurity 23?
The CAS number of Etomidate Impurity 23 is 112421-33-7.
What is the molecular formula of Etomidate Impurity 23?
The molecular formula of Etomidate Impurity 23 is C14H16N2O2S.
What is the molecular weight of Etomidate Impurity 23?
The molecular weight of Etomidate Impurity 23 is 276.09 g/mol.
Where can I buy Etomidate Impurity 23?
You can request a quote for Etomidate Impurity 23 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etomidate Impurity 23?
Yes, KEHONG BIO provides custom synthesis services for Etomidate Impurity 23 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.