甲基乙二醛
TL;DR: 甲基乙二醛 (CAS 78-98-8) is a chemical compound with molecular formula C3H4O2 and molecular weight 72.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基乙二醛
2-oxopropanal
Also Known As: methylglyoxal, pyruvaldehyde, 2-Oxopropanal, pyruvic aldehyde, acetylformaldehyde
| Molecular Formula | C3H4O2 |
|---|---|
| Molecular Weight | 72.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.021126 |
| Heavy Atoms | 5 |
| Complexity | 55.0 |
| Melting Point | < 25 °C |
| Boiling Point | 72.2 °C at 760 mmHg |
| Density | 1.06 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992) |
| Vapor Pressure | 26.7 [mmHg] |
| Refractive Index | 1.4002 at 17.5 °C |
Chemical Identifiers
| CAS Number | 78-98-8 |
|---|---|
| SMILES | CC(=O)C=O |
| InChIKey | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基乙二醛 (CAS 78-98-8), with molecular formula C3H4O2 and molecular weight 72.02 g/mol. IUPAC: 2-oxopropanal.
Chemical Property Profile of 甲基乙二醛
Property Insights of 甲基乙二醛
The XLogP value of -0.4 indicates that 甲基乙二醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, 甲基乙二醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基乙二醛 has 0 hydrogen bond donor(s) and 2 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 甲基乙二醛?
The CAS number of 甲基乙二醛 is 78-98-8.
What is the molecular formula of 甲基乙二醛?
The molecular formula of 甲基乙二醛 is C3H4O2.
What is the molecular weight of 甲基乙二醛?
The molecular weight of 甲基乙二醛 is 72.02 g/mol.
Where can I buy 甲基乙二醛?
You can request a quote for 甲基乙二醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基乙二醛?
Yes, KEHONG BIO provides custom synthesis services for 甲基乙二醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.