Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate
TL;DR: Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate (CAS 40277-24-5) is a chemical compound with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate, 5-amino-1-carbamoyl-3-methylsulfanyl-1H-pyrazole-4-carboxylic acid ethyl ester
| Molecular Formula | C8H12N4O3S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 0.2907 |
| Topological Polar Surface Area | 113.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.06302 |
| Heavy Atoms | 16 |
| Complexity | 429.16306 |
Chemical Identifiers
| CAS Number | 40277-24-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1SC)C(=O)N)N |
Product Overview
Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate (CAS 40277-24-5), with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol. IUPAC: ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate
Property Insights of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate
The XLogP value of 0.2907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate. The TPSA of 113.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate has 2 hydrogen bond donor(s) and 6 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 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate?
The CAS number of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate is 40277-24-5.
What is the molecular formula of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate is C8H12N4O3S.
What is the molecular weight of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate is 244.06 g/mol.
Where can I buy Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-1-carbamoyl-3-methylsulfanylpyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.