2-Isobutyl-succinic acid-4-t-butyl ester
TL;DR: 2-Isobutyl-succinic acid-4-t-butyl ester (CAS 157422-39-4) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
Also Known As: (R)-2-(2-(tert-Butoxy)-2-oxoethyl)-4-methylpentanoic acid, 2-isobutyl-succinic acid-4-t-butyl ester, J1.808.131H, 2-[2-Oxo-2-(tert-butoxy)ethyl]-4-methylvaleric acid, 2-(2-tert-butoxy-2-oxo-ethyl)-4-methyl-pentanoic acid
Technical Specifications
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15181 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | CC(C)CC(CC(=O)OC(C)(C)C)C(=O)O |
| InChIKey | NPIMKSLXCPUXPD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isobutyl-succinic acid-4-t-butyl ester
Property Insights of 2-Isobutyl-succinic acid-4-t-butyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutyl-succinic acid-4-t-butyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isobutyl-succinic acid-4-t-butyl ester. Following Lipinski's Rule of Five, 2-Isobutyl-succinic acid-4-t-butyl ester has 1 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 2-Isobutyl-succinic acid-4-t-butyl ester?
The CAS number of 2-Isobutyl-succinic acid-4-t-butyl ester is 157422-39-4.
What is the molecular formula of 2-Isobutyl-succinic acid-4-t-butyl ester?
The molecular formula of 2-Isobutyl-succinic acid-4-t-butyl ester is C12H22O4.
What is the molecular weight of 2-Isobutyl-succinic acid-4-t-butyl ester?
The molecular weight of 2-Isobutyl-succinic acid-4-t-butyl ester is 230.15181 g/mol.
Where can I buy 2-Isobutyl-succinic acid-4-t-butyl ester?
You can request a quote for 2-Isobutyl-succinic acid-4-t-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isobutyl-succinic acid-4-t-butyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Isobutyl-succinic acid-4-t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.