2,2-二羟甲基丁酸
TL;DR: 2,2-二羟甲基丁酸 (CAS 56743-27-2) 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.
2,2-二羟甲基丁酸
2,2-bis(hydroxymethyl)butanoic acid
Also Known As: 2,2-bis(hydroxymethyl)butanoic acid, 2,2-Bis(hydroxymethyl)butyric acid, none, 2,2-Dimethylolbutyric Acid, dimethylolbutyric acid
| Molecular Formula | C6H12O4 |
|---|---|
| Molecular Weight | 148.07 g/mol |
| LogP | -0.548 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.07356 |
| Heavy Atoms | 10 |
| Complexity | 108.65156 |
Chemical Identifiers
| CAS Number | 56743-27-2 |
|---|---|
| SMILES | CCC(CO)(CO)C(=O)O |
Product Overview
2,2-二羟甲基丁酸 (CAS 56743-27-2), with molecular formula C6H12O4 and molecular weight 148.07 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butanoic acid.
Chemical Property Profile of 2,2-二羟甲基丁酸
Property Insights of 2,2-二羟甲基丁酸
The XLogP value of -0.548 indicates that 2,2-二羟甲基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-二羟甲基丁酸. Following Lipinski's Rule of Five, 2,2-二羟甲基丁酸 has 3 hydrogen bond donor(s) and 3 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 2,2-二羟甲基丁酸?
The CAS number of 2,2-二羟甲基丁酸 is 56743-27-2.
What is the molecular formula of 2,2-二羟甲基丁酸?
The molecular formula of 2,2-二羟甲基丁酸 is C6H12O4.
What is the molecular weight of 2,2-二羟甲基丁酸?
The molecular weight of 2,2-二羟甲基丁酸 is 148.07 g/mol.
Where can I buy 2,2-二羟甲基丁酸?
You can request a quote for 2,2-二羟甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二羟甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二羟甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.