2-(Butan-2-yl)butanedioic acid
TL;DR: 2-(Butan-2-yl)butanedioic acid (CAS 5653-98-5) 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-butan-2-ylbutanedioic acid
Also Known As: 2-(butan-2-yl)butanedioic acid, 2-butan-2-ylbutanedioic acid, 2-(sec-Butyl)succinic acid, 3-carboxy-4-methylhexanoic acid, RefChem:253426
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 5653-98-5 |
|---|---|
| SMILES | CCC(C)C(CC(=O)O)C(=O)O |
| InChIKey | OKLHGPQSJDHYTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Butan-2-yl)butanedioic acid (CAS 5653-98-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-butan-2-ylbutanedioic acid.
Chemical Property Profile of 2-(Butan-2-yl)butanedioic acid
Property Insights of 2-(Butan-2-yl)butanedioic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butan-2-yl)butanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butan-2-yl)butanedioic acid. Following Lipinski's Rule of Five, 2-(Butan-2-yl)butanedioic 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 2-(Butan-2-yl)butanedioic acid?
The CAS number of 2-(Butan-2-yl)butanedioic acid is 5653-98-5.
What is the molecular formula of 2-(Butan-2-yl)butanedioic acid?
The molecular formula of 2-(Butan-2-yl)butanedioic acid is C8H14O4.
What is the molecular weight of 2-(Butan-2-yl)butanedioic acid?
The molecular weight of 2-(Butan-2-yl)butanedioic acid is 174.09 g/mol.
Where can I buy 2-(Butan-2-yl)butanedioic acid?
You can request a quote for 2-(Butan-2-yl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butan-2-yl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butan-2-yl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.