![methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate structure](/static/products/5128/512827-70-2.webp)
methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 512827-70-2) is a chemical compound with molecular formula C14H15BrN4O5S and molecular weight 429.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate, methyl 2-(2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[({4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, METHYL 2-{[2-(4-BROMO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE
| Molecular Formula | C14H15BrN4O5S |
|---|---|
| Molecular Weight | 429.99 g/mol |
| LogP | 2.96586 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.99466 |
| Heavy Atoms | 25 |
| Complexity | 873.18933 |
Chemical Identifiers
| CAS Number | 512827-70-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C |
Product Overview
methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 512827-70-2), with molecular formula C14H15BrN4O5S and molecular weight 429.99 g/mol. IUPAC: methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 2.96586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is 512827-70-2.
What is the molecular formula of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is C14H15BrN4O5S.
What is the molecular weight of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is 429.99 g/mol.
Where can I buy methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.