2,4,5-Trimethylbenzaldehyde
TL;DR: 2,4,5-Trimethylbenzaldehyde (CAS 5779-72-6) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trimethylbenzaldehyde
Also Known As: 2,4,5-TRIMETHYLBENZALDEHYDE, Duryl aldehyde, Duraldehyde, Durylaldehyde, Benzaldehyde, 2,4,5-trimethyl-
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| Melting Point | 43.5 °C |
Chemical Identifiers
| CAS Number | 5779-72-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C=O)C |
| InChIKey | LROJZZICACKNJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethylbenzaldehyde (CAS 5779-72-6), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 2,4,5-trimethylbenzaldehyde.
Chemical Property Profile of 2,4,5-Trimethylbenzaldehyde
Property Insights of 2,4,5-Trimethylbenzaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethylbenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,5-Trimethylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethylbenzaldehyde 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 2,4,5-Trimethylbenzaldehyde?
The CAS number of 2,4,5-Trimethylbenzaldehyde is 5779-72-6.
What is the molecular formula of 2,4,5-Trimethylbenzaldehyde?
The molecular formula of 2,4,5-Trimethylbenzaldehyde is C10H12O.
What is the molecular weight of 2,4,5-Trimethylbenzaldehyde?
The molecular weight of 2,4,5-Trimethylbenzaldehyde is 148.09 g/mol.
Where can I buy 2,4,5-Trimethylbenzaldehyde?
You can request a quote for 2,4,5-Trimethylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.