Butan-2-ylpropanedioic acid
TL;DR: Butan-2-ylpropanedioic acid (CAS 4372-15-0) 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-butan-2-ylpropanedioic acid
Also Known As: butan-2-ylpropanedioic acid, 2-(sec-Butyl)malonic acid, sec-Butyl-malonsaeure, 2-sec-butylmalonic acid, sec-butyl-malonic acid
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.4 |
| 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 | 150.0 |
Chemical Identifiers
| CAS Number | 4372-15-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)C(=O)O |
| InChIKey | IPMIXNDGJJXXJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butan-2-ylpropanedioic acid (CAS 4372-15-0), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-butan-2-ylpropanedioic acid.
Chemical Property Profile of Butan-2-ylpropanedioic acid
Property Insights of Butan-2-ylpropanedioic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-ylpropanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-ylpropanedioic acid. Following Lipinski's Rule of Five, Butan-2-ylpropanedioic 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 Butan-2-ylpropanedioic acid?
The CAS number of Butan-2-ylpropanedioic acid is 4372-15-0.
What is the molecular formula of Butan-2-ylpropanedioic acid?
The molecular formula of Butan-2-ylpropanedioic acid is C7H12O4.
What is the molecular weight of Butan-2-ylpropanedioic acid?
The molecular weight of Butan-2-ylpropanedioic acid is 160.07 g/mol.
Where can I buy Butan-2-ylpropanedioic acid?
You can request a quote for Butan-2-ylpropanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-ylpropanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-ylpropanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.