2,4-Dimethylhepta-2,4-dienal
TL;DR: 2,4-Dimethylhepta-2,4-dienal (CAS 42452-48-2) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylhepta-2,4-dienal
Also Known As: 2,4-dimethylhepta-2,4-dienal, Epalrestat Impurity 60, 2,4-Heptadienal, 2,4-dimethyl-, 2,4-Dimethyl-2,4-heptadienal, 2,4-dimethyl-hepta-2,4-dienal
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 42452-48-2 |
|---|---|
| SMILES | CCC=C(C)C=C(C)C=O |
| InChIKey | PHOBFHQBEYNKAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylhepta-2,4-dienal (CAS 42452-48-2), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 2,4-dimethylhepta-2,4-dienal.
Chemical Property Profile of 2,4-Dimethylhepta-2,4-dienal
Property Insights of 2,4-Dimethylhepta-2,4-dienal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylhepta-2,4-dienal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Dimethylhepta-2,4-dienal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylhepta-2,4-dienal has 0 hydrogen bond donor(s) and 1 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 2,4-Dimethylhepta-2,4-dienal?
The CAS number of 2,4-Dimethylhepta-2,4-dienal is 42452-48-2.
What is the molecular formula of 2,4-Dimethylhepta-2,4-dienal?
The molecular formula of 2,4-Dimethylhepta-2,4-dienal is C9H14O.
What is the molecular weight of 2,4-Dimethylhepta-2,4-dienal?
The molecular weight of 2,4-Dimethylhepta-2,4-dienal is 138.10 g/mol.
Where can I buy 2,4-Dimethylhepta-2,4-dienal?
You can request a quote for 2,4-Dimethylhepta-2,4-dienal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylhepta-2,4-dienal?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylhepta-2,4-dienal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.