(S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate
TL;DR: (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate (CAS 1173681-62-3) is a chemical compound with molecular formula C22H25N3O4 and molecular weight 395.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoate
Also Known As: (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate, methyl (2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoate
Technical Specifications
| Molecular Formula | C22H25N3O4 |
| Molecular Weight | 395.1845 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1845 Da |
| Heavy Atoms | 29 |
| Complexity | 603.0 |
| SMILES | CC(C)[C@@H]1C(=O)NC2=CC=CC=C2N1C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC |
| InChIKey | JMPAIBMAAPIQTC-PKOBYXMFSA-N |
Chemical Property Profile of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate
Property Insights of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate
The XLogP value of 3.4 indicates that (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate 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
What is the CAS number of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate?
The CAS number of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate is 1173681-62-3.
What is the molecular formula of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate?
The molecular formula of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate is C22H25N3O4.
What is the molecular weight of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate?
The molecular weight of (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate is 395.1845 g/mol.
Where can I buy (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate?
You can request a quote for (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-((R)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.