![methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate structure](/static/products/754/75491-52-0.png)
methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate
TL;DR: methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate (CAS 75491-52-0) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoate
Also Known As: BAS 00549513, methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoate, methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate, methyl 4-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-4-oxobutanoate, methyl 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobutanoate
| Molecular Formula | C16H19N3O4 |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.13754 |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 75491-52-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)OC |
| InChIKey | CRTOZSPSTNTZAF-UHFFFAOYSA-N |
Product Overview
methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate (CAS 75491-52-0), with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol. IUPAC: methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoate.
Chemical Property Profile of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate
Property Insights of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate
The XLogP value of -0.2 indicates that methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate. Following Lipinski's Rule of Five, methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate has 1 hydrogen bond donor(s) and 5 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 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate?
The CAS number of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate is 75491-52-0.
What is the molecular formula of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate?
The molecular formula of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate is C16H19N3O4.
What is the molecular weight of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate?
The molecular weight of methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate is 317.14 g/mol.
Where can I buy methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate?
You can request a quote for methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.