![ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate structure](/static/products/5128/512815-01-9.webp)
ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
TL;DR: ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate (CAS 512815-01-9) is a chemical compound with molecular formula C14H14BrN3O3 and molecular weight 351.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-bromophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
Also Known As: ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate, ethyl 5-[(2-bromophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate, Ethyl 5-[(2-bromophenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate, ethyl 3-((2-bromophenyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylate, ethyl 3-[(2-bromophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
| Molecular Formula | C14H14BrN3O3 |
|---|---|
| Molecular Weight | 351.02 g/mol |
| LogP | 2.6116 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.02185 |
| Heavy Atoms | 21 |
| Complexity | 681.8538 |
Chemical Identifiers
| CAS Number | 512815-01-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC=C2Br |
Product Overview
ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate (CAS 512815-01-9), with molecular formula C14H14BrN3O3 and molecular weight 351.02 g/mol. IUPAC: ethyl 3-[(2-bromophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.
Chemical Property Profile of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
Property Insights of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 2.6116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate is 512815-01-9.
What is the molecular formula of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate is C14H14BrN3O3.
What is the molecular weight of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate is 351.02 g/mol.
Where can I buy ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(2-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.