3-(4-Methylphenyl)prop-2-enal
TL;DR: 3-(4-Methylphenyl)prop-2-enal (CAS 39627-61-7) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)prop-2-enal
Also Known As: p-Methylcinnamaldehyde, 3-(p-Tolyl)acrylaldehyde, 3-P-Tolylpropenal, 3-(4-methylphenyl)prop-2-enal, (E)-3-(p-Tolyl)acrylaldehyde
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 39627-61-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC=O |
| InChIKey | DKOUYOVAEBQFHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methylphenyl)prop-2-enal (CAS 39627-61-7), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: 3-(4-methylphenyl)prop-2-enal.
Chemical Property Profile of 3-(4-Methylphenyl)prop-2-enal
Property Insights of 3-(4-Methylphenyl)prop-2-enal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)prop-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(4-Methylphenyl)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)prop-2-enal 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-(4-Methylphenyl)prop-2-enal?
The CAS number of 3-(4-Methylphenyl)prop-2-enal is 39627-61-7.
What is the molecular formula of 3-(4-Methylphenyl)prop-2-enal?
The molecular formula of 3-(4-Methylphenyl)prop-2-enal is C10H10O.
What is the molecular weight of 3-(4-Methylphenyl)prop-2-enal?
The molecular weight of 3-(4-Methylphenyl)prop-2-enal is 146.07 g/mol.
Where can I buy 3-(4-Methylphenyl)prop-2-enal?
You can request a quote for 3-(4-Methylphenyl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.