ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate
TL;DR: ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate (CAS 676236-45-6) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate
Also Known As: Maybridge3_001721, IDI1_013108, ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate, ethyl 3-((1H-pyrazol-3-yl)amino)-3-oxopropanoate
| Molecular Formula | C8H11N3O3 |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 0.3014 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.08005 |
| Heavy Atoms | 14 |
| Complexity | 307.64124 |
Chemical Identifiers
| CAS Number | 676236-45-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=NN1 |
Product Overview
ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate (CAS 676236-45-6), with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol. IUPAC: ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate.
Chemical Property Profile of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate
Property Insights of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate
The XLogP value of 0.3014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate. Following Lipinski's Rule of Five, ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate has 2 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-oxo-3-(1H-pyrazol-5-ylamino)propanoate?
The CAS number of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate is 676236-45-6.
What is the molecular formula of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate?
The molecular formula of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate is C8H11N3O3.
What is the molecular weight of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate?
The molecular weight of ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate is 197.08 g/mol.
Where can I buy ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate?
You can request a quote for ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.