4,4-Dimethylhexa-2,5-dienal
TL;DR: 4,4-Dimethylhexa-2,5-dienal (CAS 56593-03-4) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylhexa-2,5-dienal
Also Known As: 4,4-dimethylhexa-2,5-dienal, (2E)-4,4-dimethylhexa-2,5-dienal
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 56593-03-4 |
|---|---|
| SMILES | CC(C)(C=C)C=CC=O |
| InChIKey | NLGYQSSOYAAUGS-UHFFFAOYSA-N |
Product Overview
4,4-Dimethylhexa-2,5-dienal (CAS 56593-03-4), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 4,4-dimethylhexa-2,5-dienal.
Chemical Property Profile of 4,4-Dimethylhexa-2,5-dienal
Property Insights of 4,4-Dimethylhexa-2,5-dienal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethylhexa-2,5-dienal. With a topological polar surface area (TPSA) of 17.1 Ų, 4,4-Dimethylhexa-2,5-dienal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethylhexa-2,5-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 4,4-Dimethylhexa-2,5-dienal?
The CAS number of 4,4-Dimethylhexa-2,5-dienal is 56593-03-4.
What is the molecular formula of 4,4-Dimethylhexa-2,5-dienal?
The molecular formula of 4,4-Dimethylhexa-2,5-dienal is C8H12O.
What is the molecular weight of 4,4-Dimethylhexa-2,5-dienal?
The molecular weight of 4,4-Dimethylhexa-2,5-dienal is 124.09 g/mol.
Where can I buy 4,4-Dimethylhexa-2,5-dienal?
You can request a quote for 4,4-Dimethylhexa-2,5-dienal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethylhexa-2,5-dienal?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylhexa-2,5-dienal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.