![methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate structure](/static/products/4027/402767-85-5.webp)
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
TL;DR: methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 402767-85-5) 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.
methyl 2-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]benzoate
Also Known As: CBKinase1_002856, CBKinase1_015256, methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate, BRD-K98794206-001-01-6, methyl 2-[(4-bromo-2-ethylpyrazole-3-carbonyl)amino]benzoate
| Molecular Formula | C14H14BrN3O3 |
|---|---|
| Molecular Weight | 351.02 g/mol |
| LogP | 2.7044 |
| 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 | 402767-85-5 |
|---|---|
| SMILES | CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 402767-85-5), with molecular formula C14H14BrN3O3 and molecular weight 351.02 g/mol. IUPAC: methyl 2-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
Property Insights of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
The XLogP value of 2.7044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate 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 methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The CAS number of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 402767-85-5.
What is the molecular formula of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is C14H14BrN3O3.
What is the molecular weight of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 351.02 g/mol.
Where can I buy methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.