![ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate structure](/static/products/677/677765-56-9.png)
ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate
TL;DR: ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate (CAS 677765-56-9) is a chemical compound with molecular formula C17H21N5O2S and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate
Also Known As: ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate, ethyl N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate
| Molecular Formula | C17H21N5O2S |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 2.6844 |
| Topological Polar Surface Area | 88.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.1416 |
| Heavy Atoms | 25 |
| Complexity | 770.60034 |
Chemical Identifiers
| CAS Number | 677765-56-9 |
|---|---|
| SMILES | CCS/C(=N/C1=C(N=CN1CC(=O)C)C(=O)NC)/NC2=CC=CC=C2 |
Product Overview
ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate (CAS 677765-56-9), with molecular formula C17H21N5O2S and molecular weight 359.14 g/mol. IUPAC: ethyl N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate.
Chemical Property Profile of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate
Property Insights of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate
The XLogP value of 2.6844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate. The TPSA of 88.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate. Following Lipinski's Rule of Five, ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate has 2 hydrogen bond donor(s) and 5 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 ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate?
The CAS number of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate is 677765-56-9.
What is the molecular formula of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate?
The molecular formula of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate is C17H21N5O2S.
What is the molecular weight of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate?
The molecular weight of ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate is 359.14 g/mol.
Where can I buy ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate?
You can request a quote for ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N'-[4-(methylcarbamoyl)-1-(2-oxopropyl)-1H-imidazol-5-yl]-N-phenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.