![ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate structure](/static/products/5158/515831-50-2.webp)
ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
TL;DR: ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 515831-50-2) is a chemical compound with molecular formula C15H16ClN3O3 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]benzoate
Also Known As: ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate, ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]benzoate, ethyl 4-(4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamido)benzoate, Ethyl 4-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]benzoate
| Molecular Formula | C15H16ClN3O3 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 2.81092 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.088 |
| Heavy Atoms | 22 |
| Complexity | 707.56793 |
Chemical Identifiers
| CAS Number | 515831-50-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=NN2C)C)Cl |
Product Overview
ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 515831-50-2), with molecular formula C15H16ClN3O3 and molecular weight 321.09 g/mol. IUPAC: ethyl 4-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
Property Insights of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
The XLogP value of 2.81092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(4-chloro-1,3-dimethyl-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 ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The CAS number of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 515831-50-2.
What is the molecular formula of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular formula of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is C15H16ClN3O3.
What is the molecular weight of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular weight of ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 321.09 g/mol.
Where can I buy ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
You can request a quote for ethyl 4-{[(4-chloro-1,3-dimethyl-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 ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.