(S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate
TL;DR: (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate (CAS 1173684-82-6) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoate
Also Known As: (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate, methyl 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoate
Technical Specifications
| Molecular Formula | C16H21N3O4 |
| Molecular Weight | 319.1532 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1532 Da |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
| SMILES | CC(C)[C@H]1C(=O)NC2=CC=CC=C2N1C(=O)NCCC(=O)OC |
| InChIKey | BEKORRGWRMWWHF-AWEZNQCLSA-N |
Chemical Property Profile of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate
Property Insights of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)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
What is the CAS number of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate?
The CAS number of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate is 1173684-82-6.
What is the molecular formula of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate?
The molecular formula of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate is C16H21N3O4.
What is the molecular weight of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate?
The molecular weight of (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate is 319.1532 g/mol.
Where can I buy (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate?
You can request a quote for (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 3-(2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.