Desethyl-etomidate
TL;DR: Desethyl-etomidate (CAS 56649-48-0) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenylethyl)imidazole-4-carboxylic acid
Also Known As: Desethyl-etomidate, Etomidate EP Impurity A, Etomidate Acid, 1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid, Etomidate acid, (RS)-
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 56649-48-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O |
| InChIKey | RGYCCBLTSWHXIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desethyl-etomidate (CAS 56649-48-0), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3-(1-phenylethyl)imidazole-4-carboxylic acid.
Chemical Property Profile of Desethyl-etomidate
Property Insights of Desethyl-etomidate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desethyl-etomidate. With a topological polar surface area (TPSA) of 55.1 Ų, Desethyl-etomidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desethyl-etomidate 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 Desethyl-etomidate?
The CAS number of Desethyl-etomidate is 56649-48-0.
What is the molecular formula of Desethyl-etomidate?
The molecular formula of Desethyl-etomidate is C12H12N2O2.
What is the molecular weight of Desethyl-etomidate?
The molecular weight of Desethyl-etomidate is 216.09 g/mol.
Where can I buy Desethyl-etomidate?
You can request a quote for Desethyl-etomidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desethyl-etomidate?
Yes, KEHONG BIO provides custom synthesis services for Desethyl-etomidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.