Glutaconaldehyde
TL;DR: Glutaconaldehyde (CAS 79101-67-0) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-2-enedial
Also Known As: Glutaconaldehyde, 2-Pentenedial, pent-2-enedial, (E,E)-5-Amino-2,4-pentadienal, RefChem:922298
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 79101-67-0 |
|---|---|
| SMILES | C(C=CC=O)C=O |
| InChIKey | NEOPYIBVKJWHMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glutaconaldehyde (CAS 79101-67-0), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: pent-2-enedial.
Chemical Property Profile of Glutaconaldehyde
Property Insights of Glutaconaldehyde
The XLogP value of -0.4 indicates that Glutaconaldehyde 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, Glutaconaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glutaconaldehyde 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 Glutaconaldehyde?
The CAS number of Glutaconaldehyde is 79101-67-0.
What is the molecular formula of Glutaconaldehyde?
The molecular formula of Glutaconaldehyde is C5H6O2.
What is the molecular weight of Glutaconaldehyde?
The molecular weight of Glutaconaldehyde is 98.04 g/mol.
Where can I buy Glutaconaldehyde?
You can request a quote for Glutaconaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glutaconaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Glutaconaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.