(3-Methylbutyl)propanedioic acid
TL;DR: (3-Methylbutyl)propanedioic acid (CAS 62134-48-9) 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-(3-methylbutyl)propanedioic acid
Also Known As: isoamylmalonic acid, 2-Isopentylmalonic acid, (3-methylbutyl)propanedioic acid, Pregabalin impurity 105, 2-(3-methylbutyl)propanedioic acid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.7 |
| 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 | 160.0 |
Chemical Identifiers
| CAS Number | 62134-48-9 |
|---|---|
| SMILES | CC(C)CCC(C(=O)O)C(=O)O |
| InChIKey | DULGSKUOZFWTAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methylbutyl)propanedioic acid (CAS 62134-48-9), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-(3-methylbutyl)propanedioic acid.
Chemical Property Profile of (3-Methylbutyl)propanedioic acid
Property Insights of (3-Methylbutyl)propanedioic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylbutyl)propanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methylbutyl)propanedioic acid. Following Lipinski's Rule of Five, (3-Methylbutyl)propanedioic 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 (3-Methylbutyl)propanedioic acid?
The CAS number of (3-Methylbutyl)propanedioic acid is 62134-48-9.
What is the molecular formula of (3-Methylbutyl)propanedioic acid?
The molecular formula of (3-Methylbutyl)propanedioic acid is C8H14O4.
What is the molecular weight of (3-Methylbutyl)propanedioic acid?
The molecular weight of (3-Methylbutyl)propanedioic acid is 174.09 g/mol.
Where can I buy (3-Methylbutyl)propanedioic acid?
You can request a quote for (3-Methylbutyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylbutyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylbutyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.