3-(p-Methylphenyl)propanal
TL;DR: 3-(p-Methylphenyl)propanal (CAS 5406-12-2) 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.
3-(4-methylphenyl)propanal
Also Known As: Benzenepropanal, 4-methyl-, 3-(4-methylphenyl)propanal, 3-(p-tolyl)propanal, hydrochloricacid, 3-(4-METHYLPHENYL)PROPIONALDEHYDE
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 5406-12-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCC=O |
| InChIKey | ABGZWIFTZXUDGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(p-Methylphenyl)propanal (CAS 5406-12-2), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 3-(4-methylphenyl)propanal.
Chemical Property Profile of 3-(p-Methylphenyl)propanal
Property Insights of 3-(p-Methylphenyl)propanal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(p-Methylphenyl)propanal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(p-Methylphenyl)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Methylphenyl)propanal 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 3-(p-Methylphenyl)propanal?
The CAS number of 3-(p-Methylphenyl)propanal is 5406-12-2.
What is the molecular formula of 3-(p-Methylphenyl)propanal?
The molecular formula of 3-(p-Methylphenyl)propanal is C10H12O.
What is the molecular weight of 3-(p-Methylphenyl)propanal?
The molecular weight of 3-(p-Methylphenyl)propanal is 148.09 g/mol.
Where can I buy 3-(p-Methylphenyl)propanal?
You can request a quote for 3-(p-Methylphenyl)propanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Methylphenyl)propanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Methylphenyl)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.