Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-
TL;DR: Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- (CAS 60176-54-7) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
Also Known As: 1-Methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)urea, Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-, 5-23-10-00507 (Beilstein Handbook Reference), 1-Methyl-3-[[[1- -1H-imidazol-2-yl]thio]acetyl]urea, Acetamide, 2-((1-(2,6-dimethylphenyl)-1H-imidazol-2-yl)thio)-N-((methylamino)carbonyl)-
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.03684 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 676.35095 |
Chemical Identifiers
| CAS Number | 60176-54-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C=CN=C2SCC(=O)NC(=O)NC |
Product Overview
Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- (CAS 60176-54-7), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: 2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide.
Chemical Property Profile of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-
Property Insights of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-
The XLogP value of 2.03684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-. Following Lipinski's Rule of Five, Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- has 2 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 Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-?
The CAS number of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- is 60176-54-7.
What is the molecular formula of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-?
The molecular formula of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- is C15H18N4O2S.
What is the molecular weight of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-?
The molecular weight of Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- is 318.12 g/mol.
Where can I buy Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-?
You can request a quote for Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-methyl-3-((1-(2,6-xylyl)imidazol-2-ylthio)acetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.