4-羟基-2-酮丁醛
TL;DR: 4-羟基-2-酮丁醛 (CAS 33852-21-0) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-2-酮丁醛
4-hydroxy-2-oxobutanal
Also Known As: 4-hydroxy-2-oxobutanal, 4-Hydroxy-2-ketobutyraldehyde, 3-Deoxythreosone, hydroxyethylglyoxal, 4-Hydroxy-2-oxobutyraldehyde
| Molecular Formula | C4H6O3 |
|---|---|
| Molecular Weight | 102.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.03169 |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 33852-21-0 |
|---|---|
| SMILES | C(CO)C(=O)C=O |
| InChIKey | CUSSNCHZLYDUPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-2-酮丁醛 (CAS 33852-21-0), with molecular formula C4H6O3 and molecular weight 102.03 g/mol. IUPAC: 4-hydroxy-2-oxobutanal.
Chemical Property Profile of 4-羟基-2-酮丁醛
Property Insights of 4-羟基-2-酮丁醛
The XLogP value of -1.1 indicates that 4-羟基-2-酮丁醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 4-羟基-2-酮丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-2-酮丁醛 has 1 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 4-羟基-2-酮丁醛?
The CAS number of 4-羟基-2-酮丁醛 is 33852-21-0.
What is the molecular formula of 4-羟基-2-酮丁醛?
The molecular formula of 4-羟基-2-酮丁醛 is C4H6O3.
What is the molecular weight of 4-羟基-2-酮丁醛?
The molecular weight of 4-羟基-2-酮丁醛 is 102.03 g/mol.
Where can I buy 4-羟基-2-酮丁醛?
You can request a quote for 4-羟基-2-酮丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-2-酮丁醛?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-2-酮丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.