![4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et structure](/static/products/846/84669-13-6.png)
4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et
TL;DR: 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et (CAS 84669-13-6) is a chemical compound with molecular formula C12H18N6OS and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide
Also Known As: 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et, 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide, 4-Methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide
| Molecular Formula | C12H18N6OS |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.12628 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 84669-13-6 |
|---|---|
| SMILES | CC1=CNN(C1=O)C(=NCCSCC2=C(NC=N2)C)N |
| InChIKey | GWFQMMMYBZAEHJ-UHFFFAOYSA-N |
Product Overview
4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et (CAS 84669-13-6), with molecular formula C12H18N6OS and molecular weight 294.13 g/mol. IUPAC: 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide.
Chemical Property Profile of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et
Property Insights of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et. Following Lipinski's Rule of Five, 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et has 3 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 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et?
The CAS number of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et is 84669-13-6.
What is the molecular formula of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et?
The molecular formula of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et is C12H18N6OS.
What is the molecular weight of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et?
The molecular weight of 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et is 294.13 g/mol.
Where can I buy 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et?
You can request a quote for 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]et and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.