4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde
TL;DR: 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde (CAS 85586-73-8) 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.
4-hydroxy-3,3-bis(hydroxymethyl)butanal
Also Known As: EINECS 287-879-6, 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde, 4-hydroxy-3,3-bis(hydroxymethyl)butanal
| Molecular Formula | C6H12O4 |
|---|---|
| Molecular Weight | 148.07 g/mol |
| LogP | -1.4613 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.07356 |
| Heavy Atoms | 10 |
| Complexity | 89.65627 |
Chemical Identifiers
| CAS Number | 85586-73-8 |
|---|---|
| SMILES | C(C=O)C(CO)(CO)CO |
Product Overview
4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde (CAS 85586-73-8), with molecular formula C6H12O4 and molecular weight 148.07 g/mol. IUPAC: 4-hydroxy-3,3-bis(hydroxymethyl)butanal.
Chemical Property Profile of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde
Property Insights of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde
The XLogP value of -1.4613 indicates that 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde 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 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde. Following Lipinski's Rule of Five, 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde 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 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde?
The CAS number of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde is 85586-73-8.
What is the molecular formula of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde?
The molecular formula of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde is C6H12O4.
What is the molecular weight of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde?
The molecular weight of 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde is 148.07 g/mol.
Where can I buy 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde?
You can request a quote for 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3,3-bis(hydroxymethyl)butyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.