2,4-Dihydroxy-3,3-dimethylbutanoate
TL;DR: 2,4-Dihydroxy-3,3-dimethylbutanoate (CAS 5102-72-7) is a chemical compound with molecular formula C6H11O4- and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydroxy-3,3-dimethylbutanoate
Also Known As: (R)-pantoate, 2,4-dihydroxy-3,3-dimethylbutanoate, PAF
| Molecular Formula | C6H11O4- |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | -1.8843 |
| Topological Polar Surface Area | 80.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.06573 |
| Heavy Atoms | 10 |
| Complexity | 129.7095 |
Chemical Identifiers
| CAS Number | 5102-72-7 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)[O-])O |
Product Overview
2,4-Dihydroxy-3,3-dimethylbutanoate (CAS 5102-72-7), with molecular formula C6H11O4- and molecular weight 147.07 g/mol. IUPAC: 2,4-dihydroxy-3,3-dimethylbutanoate.
Chemical Property Profile of 2,4-Dihydroxy-3,3-dimethylbutanoate
Property Insights of 2,4-Dihydroxy-3,3-dimethylbutanoate
The XLogP value of -1.8843 indicates that 2,4-Dihydroxy-3,3-dimethylbutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydroxy-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, 2,4-Dihydroxy-3,3-dimethylbutanoate 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 2,4-Dihydroxy-3,3-dimethylbutanoate?
The CAS number of 2,4-Dihydroxy-3,3-dimethylbutanoate is 5102-72-7.
What is the molecular formula of 2,4-Dihydroxy-3,3-dimethylbutanoate?
The molecular formula of 2,4-Dihydroxy-3,3-dimethylbutanoate is C6H11O4-.
What is the molecular weight of 2,4-Dihydroxy-3,3-dimethylbutanoate?
The molecular weight of 2,4-Dihydroxy-3,3-dimethylbutanoate is 147.07 g/mol.
Where can I buy 2,4-Dihydroxy-3,3-dimethylbutanoate?
You can request a quote for 2,4-Dihydroxy-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydroxy-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydroxy-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.