ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate
TL;DR: ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate (CAS 221482-56-0) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobut-2-enoate
Also Known As: J2.313.609K, ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate, AR-360/42760396, ethyl (E)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobut-2-enoate, gamma-Oxo-3,5-dimethyl-1H-pyrazole-1-crotonic acid ethyl ester
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.25944 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 432.4381 |
Chemical Identifiers
| CAS Number | 221482-56-0 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)N1C(=CC(=N1)C)C |
Product Overview
ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate (CAS 221482-56-0), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: ethyl (E)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobut-2-enoate.
Chemical Property Profile of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate
Property Insights of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate
The XLogP value of 1.25944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate. Following Lipinski's Rule of Five, ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate has 0 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-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate?
The CAS number of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate is 221482-56-0.
What is the molecular formula of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate?
The molecular formula of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate is C11H14N2O3.
What is the molecular weight of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate?
The molecular weight of ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate is 222.10 g/mol.
Where can I buy ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate?
You can request a quote for ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.