![ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate structure](/static/products/484/484640-87-1.png)
ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate
TL;DR: ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate (CAS 484640-87-1) is a chemical compound with molecular formula C15H16ClN3O2 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]imino]butanoate
Also Known As: AF-886/30525024, ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate, ethyl 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]imino]butanoate
| Molecular Formula | C15H16ClN3O2 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 3.7757 |
| Topological Polar Surface Area | 67.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0931 |
| Heavy Atoms | 21 |
| Complexity | 647.1933 |
Chemical Identifiers
| CAS Number | 484640-87-1 |
|---|---|
| SMILES | CCOC(=O)CC(=NC1=NNC(=C1)C2=CC=C(C=C2)Cl)C |
Product Overview
ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate (CAS 484640-87-1), with molecular formula C15H16ClN3O2 and molecular weight 305.09 g/mol. IUPAC: ethyl 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]imino]butanoate.
Chemical Property Profile of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate
Property Insights of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate
The XLogP value of 3.7757 indicates that ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate. Following Lipinski's Rule of Five, ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate 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-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate?
The CAS number of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate is 484640-87-1.
What is the molecular formula of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate?
The molecular formula of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate is C15H16ClN3O2.
What is the molecular weight of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate?
The molecular weight of ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate is 305.09 g/mol.
Where can I buy ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate?
You can request a quote for ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{[3-(4-chlorophenyl)-1H-pyrazol-5-yl]imino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.