Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate
TL;DR: Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate (CAS 98166-01-9) is a chemical compound with molecular formula C14H21N3O4 and molecular weight 295.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate
Also Known As: Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate, L-Alanine, N-(1,3-dioxobutyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, methyl ester, Methyl (2S)-2-[3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate, methyl N-(3-oxobutanoyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-L-alaninate, Methyl N-(3-oxobutanoyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)alaninate
| Molecular Formula | C14H21N3O4 |
|---|---|
| Molecular Weight | 295.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1532 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 98166-01-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)N([C@@H](C)C(=O)OC)C(=O)CC(=O)C |
| InChIKey | VJOUFJIPIHWMDN-NSHDSACASA-N |
Product Overview
Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate (CAS 98166-01-9), with molecular formula C14H21N3O4 and molecular weight 295.15 g/mol. IUPAC: methyl (2S)-2-[3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate.
Chemical Property Profile of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate
Property Insights of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate. Following Lipinski's Rule of Five, Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate has 0 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 (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate?
The CAS number of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate is 98166-01-9.
What is the molecular formula of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate?
The molecular formula of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate is C14H21N3O4.
What is the molecular weight of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate?
The molecular weight of Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate is 295.15 g/mol.
Where can I buy Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate?
You can request a quote for Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2S)-2-(3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.