ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1005618-11-0) is a chemical compound with molecular formula C14H16BrN3O3S and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate, Ethyl 2-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate, ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-{[(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]AMINO}-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE, ethyl 2-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C14H16BrN3O3S |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 3.28994 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.00958 |
| Heavy Atoms | 22 |
| Complexity | 716.51385 |
Chemical Identifiers
| CAS Number | 1005618-11-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=NN2C)Br |
Product Overview
ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1005618-11-0), with molecular formula C14H16BrN3O3S and molecular weight 385.01 g/mol. IUPAC: ethyl 2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.28994 indicates that ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate has 1 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 ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate is 1005618-11-0.
What is the molecular formula of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate is C14H16BrN3O3S.
What is the molecular weight of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate is 385.01 g/mol.
Where can I buy ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-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 ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.