![4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide structure](/static/products/876/87610-87-5.png)
4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide
TL;DR: 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide (CAS 87610-87-5) is a chemical compound with molecular formula C16H26N6OS and molecular weight 350.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide
Also Known As: 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide, 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsul, 4-Butyl-3-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-5-oxo-2,5-dihydro-1H-pyrazole-1-carboximidamide
| Molecular Formula | C16H26N6OS |
|---|---|
| Molecular Weight | 350.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 350.18887 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 87610-87-5 |
|---|---|
| SMILES | CCCCC1=C(NN(C1=O)C(=NCCSCC2=C(NC=N2)C)N)C |
| InChIKey | ZDCUUXSCODWHLX-UHFFFAOYSA-N |
Product Overview
4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide (CAS 87610-87-5), with molecular formula C16H26N6OS and molecular weight 350.19 g/mol. IUPAC: 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide.
Chemical Property Profile of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide
Property Insights of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide. Following Lipinski's Rule of Five, 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide 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-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The CAS number of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide is 87610-87-5.
What is the molecular formula of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The molecular formula of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide is C16H26N6OS.
What is the molecular weight of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The molecular weight of 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide is 350.19 g/mol.
Where can I buy 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide?
You can request a quote for 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-5-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxo-1H-pyrazole-2-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.