(2S)-2-isopropyl-3-oxosuccinate
TL;DR: (2S)-2-isopropyl-3-oxosuccinate (CAS 1245945-28-1) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2-oxo-3-propan-2-ylbutanedioic acid
Also Known As: (2S)-2-Isopropyl-3-oxosuccinate, 2-isopropyl-3-oxosuccinate, 3-Carboxy-4-methyl-2-oxopentanoate, (2S)-2-isopropyl-3-oxosuccinic acid, 2-Oxo-4-methyl-3-carboxypentanoate
Technical Specifications
| Molecular Formula | C7H10O5 |
| Molecular Weight | 174.05283 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.05283 Da |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
| SMILES | CC(C)[C@@H](C(=O)C(=O)O)C(=O)O |
| InChIKey | HIIZAGQWABAMRR-BYPYZUCNSA-N |
Chemical Property Profile of (2S)-2-isopropyl-3-oxosuccinate
Property Insights of (2S)-2-isopropyl-3-oxosuccinate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-isopropyl-3-oxosuccinate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-isopropyl-3-oxosuccinate. Following Lipinski's Rule of Five, (2S)-2-isopropyl-3-oxosuccinate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S)-2-isopropyl-3-oxosuccinate?
The CAS number of (2S)-2-isopropyl-3-oxosuccinate is 1245945-28-1.
What is the molecular formula of (2S)-2-isopropyl-3-oxosuccinate?
The molecular formula of (2S)-2-isopropyl-3-oxosuccinate is C7H10O5.
What is the molecular weight of (2S)-2-isopropyl-3-oxosuccinate?
The molecular weight of (2S)-2-isopropyl-3-oxosuccinate is 174.05283 g/mol.
Where can I buy (2S)-2-isopropyl-3-oxosuccinate?
You can request a quote for (2S)-2-isopropyl-3-oxosuccinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-isopropyl-3-oxosuccinate?
Yes, CoreyChem provides custom synthesis services for (2S)-2-isopropyl-3-oxosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.