3-Hydroxy-2-propenal
TL;DR: 3-Hydroxy-2-propenal (CAS 64516-42-3) 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.
3-hydroxyprop-2-enal
Also Known As: Ether, ethyl ethynyl, 3-hydroxyprop-2-enal, 3-Hydroxy-2-propenal, 2-Propenal, 3-hydroxy-, (E)-, 2-Propenal, 3-hydroxy-, (2Z)-
| Molecular Formula | C3H4O2 |
|---|---|
| Molecular Weight | 72.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.021126 |
| Heavy Atoms | 5 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 64516-42-3 |
|---|---|
| SMILES | C(=CO)C=O |
| InChIKey | GMSHJLUJOABYOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2-propenal (CAS 64516-42-3), with molecular formula C3H4O2 and molecular weight 72.02 g/mol. IUPAC: 3-hydroxyprop-2-enal.
Chemical Property Profile of 3-Hydroxy-2-propenal
Property Insights of 3-Hydroxy-2-propenal
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-propenal. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-propenal has 1 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 3-Hydroxy-2-propenal?
The CAS number of 3-Hydroxy-2-propenal is 64516-42-3.
What is the molecular formula of 3-Hydroxy-2-propenal?
The molecular formula of 3-Hydroxy-2-propenal is C3H4O2.
What is the molecular weight of 3-Hydroxy-2-propenal?
The molecular weight of 3-Hydroxy-2-propenal is 72.02 g/mol.
Where can I buy 3-Hydroxy-2-propenal?
You can request a quote for 3-Hydroxy-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.