2,4-二羟基-3,3-二甲基丁酸
TL;DR: 2,4-二羟基-3,3-二甲基丁酸 (CAS 470-29-1) is a chemical compound with molecular formula C6H12O4 and molecular weight 148.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二羟基-3,3-二甲基丁酸
2,4-dihydroxy-3,3-dimethylbutanoic acid
Also Known As: Pantoic acid, pantoate, 2,4-dihydroxy-3,3-dimethylbutanoic acid, dl-pantoic acid, (S)-2,4-Dihydroxy-3,3-dimethylbutanoic acid
| Molecular Formula | C6H12O4 |
|---|---|
| Molecular Weight | 148.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.07356 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 470-29-1 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)O)O |
| InChIKey | OTOIIPJYVQJATP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二羟基-3,3-二甲基丁酸 (CAS 470-29-1), with molecular formula C6H12O4 and molecular weight 148.07 g/mol. IUPAC: 2,4-dihydroxy-3,3-dimethylbutanoic acid.
Chemical Property Profile of 2,4-二羟基-3,3-二甲基丁酸
Property Insights of 2,4-二羟基-3,3-二甲基丁酸
The XLogP value of -0.3 indicates that 2,4-二羟基-3,3-二甲基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二羟基-3,3-二甲基丁酸. Following Lipinski's Rule of Five, 2,4-二羟基-3,3-二甲基丁酸 has 3 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 2,4-二羟基-3,3-二甲基丁酸?
The CAS number of 2,4-二羟基-3,3-二甲基丁酸 is 470-29-1.
What is the molecular formula of 2,4-二羟基-3,3-二甲基丁酸?
The molecular formula of 2,4-二羟基-3,3-二甲基丁酸 is C6H12O4.
What is the molecular weight of 2,4-二羟基-3,3-二甲基丁酸?
The molecular weight of 2,4-二羟基-3,3-二甲基丁酸 is 148.07 g/mol.
Where can I buy 2,4-二羟基-3,3-二甲基丁酸?
You can request a quote for 2,4-二羟基-3,3-二甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二羟基-3,3-二甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二羟基-3,3-二甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.