Isobutylmalonic acid
TL;DR: Isobutylmalonic acid (CAS 4361-06-2) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)propanedioic acid
Also Known As: Isobutylmalonic acid, isobutylmalonicacid, isobutyl malonic acid, Isobutyl-malonsaure, 2-(2-methylpropyl)propanedioic acid
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 4361-06-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)C(=O)O |
| InChIKey | FTKIARCSSZWRFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutylmalonic acid (CAS 4361-06-2), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-(2-methylpropyl)propanedioic acid.
Chemical Property Profile of Isobutylmalonic acid
Property Insights of Isobutylmalonic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutylmalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutylmalonic acid. Following Lipinski's Rule of Five, Isobutylmalonic acid 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
Frequently Asked Questions
What is the CAS number of Isobutylmalonic acid?
The CAS number of Isobutylmalonic acid is 4361-06-2.
What is the molecular formula of Isobutylmalonic acid?
The molecular formula of Isobutylmalonic acid is C7H12O4.
What is the molecular weight of Isobutylmalonic acid?
The molecular weight of Isobutylmalonic acid is 160.07 g/mol.
Where can I buy Isobutylmalonic acid?
You can request a quote for Isobutylmalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylmalonic acid?
Yes, KEHONG BIO provides custom synthesis services for Isobutylmalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.