2-Isobutylsuccinic acid
TL;DR: 2-Isobutylsuccinic acid (CAS 5702-99-8) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)butanedioic acid
Also Known As: 2-(2-methylpropyl)butanedioic Acid, 2-isobutylsuccinic acid, Pregabalin Diacid, isobutylsuccinic acid, Pregabalin Diacid Impurity
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.208 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 173.89667 |
Chemical Identifiers
| CAS Number | 5702-99-8 |
|---|---|
| SMILES | CC(C)CC(CC(=O)O)C(=O)O |
Product Overview
2-Isobutylsuccinic acid (CAS 5702-99-8), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-(2-methylpropyl)butanedioic acid.
Chemical Property Profile of 2-Isobutylsuccinic acid
Property Insights of 2-Isobutylsuccinic acid
The XLogP value of 1.208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutylsuccinic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isobutylsuccinic acid. Following Lipinski's Rule of Five, 2-Isobutylsuccinic acid has 2 hydrogen bond donor(s) and 2 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 2-Isobutylsuccinic acid?
The CAS number of 2-Isobutylsuccinic acid is 5702-99-8.
What is the molecular formula of 2-Isobutylsuccinic acid?
The molecular formula of 2-Isobutylsuccinic acid is C8H14O4.
What is the molecular weight of 2-Isobutylsuccinic acid?
The molecular weight of 2-Isobutylsuccinic acid is 174.09 g/mol.
Where can I buy 2-Isobutylsuccinic acid?
You can request a quote for 2-Isobutylsuccinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylsuccinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylsuccinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.