3,4-二羟基苯基羟乙醛
TL;DR: 3,4-二羟基苯基羟乙醛 (CAS 13023-73-9) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二羟基苯基羟乙醛
2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
Also Known As: 3,4-Dihydroxymandelaldehyde, DOPEGAL, DHMAL, DHPGALD, 3,4-Dihydroxyphenylglycolaldehyde
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 13023-73-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(C=O)O)O)O |
| InChIKey | YUGMCLJIWGEKCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二羟基苯基羟乙醛 (CAS 13023-73-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde.
Chemical Property Profile of 3,4-二羟基苯基羟乙醛
Property Insights of 3,4-二羟基苯基羟乙醛
The XLogP value of -0.6 indicates that 3,4-二羟基苯基羟乙醛 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 3,4-二羟基苯基羟乙醛. Following Lipinski's Rule of Five, 3,4-二羟基苯基羟乙醛 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 3,4-二羟基苯基羟乙醛?
The CAS number of 3,4-二羟基苯基羟乙醛 is 13023-73-9.
What is the molecular formula of 3,4-二羟基苯基羟乙醛?
The molecular formula of 3,4-二羟基苯基羟乙醛 is C8H8O4.
What is the molecular weight of 3,4-二羟基苯基羟乙醛?
The molecular weight of 3,4-二羟基苯基羟乙醛 is 168.04 g/mol.
Where can I buy 3,4-二羟基苯基羟乙醛?
You can request a quote for 3,4-二羟基苯基羟乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二羟基苯基羟乙醛?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二羟基苯基羟乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.