![2-Propenal, 3-[4-(1-methylethyl)phenyl]- structure](/static/products/8660/86604-05-9.webp)
2-Propenal, 3-[4-(1-methylethyl)phenyl]-
TL;DR: 2-Propenal, 3-[4-(1-methylethyl)phenyl]- (CAS 86604-05-9) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-propan-2-ylphenyl)prop-2-enal
Also Known As: p-Isopropylcinnamaldehyde, 3-(4-Isopropylphenyl)acrylaldehyde, 3-(4-propan-2-ylphenyl)prop-2-enal, 2-Propenal, 3-[4-(1-methylethyl)phenyl]-, 3-[4-(propan-2-yl)phenyl]prop-2-enal
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 86604-05-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=CC=O |
| InChIKey | MHGRIUPTPRZPJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenal, 3-[4-(1-methylethyl)phenyl]- (CAS 86604-05-9), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 3-(4-propan-2-ylphenyl)prop-2-enal.
Chemical Property Profile of 2-Propenal, 3-[4-(1-methylethyl)phenyl]-
Property Insights of 2-Propenal, 3-[4-(1-methylethyl)phenyl]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 3-[4-(1-methylethyl)phenyl]-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Propenal, 3-[4-(1-methylethyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 3-[4-(1-methylethyl)phenyl]- 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-Propenal, 3-[4-(1-methylethyl)phenyl]-?
The CAS number of 2-Propenal, 3-[4-(1-methylethyl)phenyl]- is 86604-05-9.
What is the molecular formula of 2-Propenal, 3-[4-(1-methylethyl)phenyl]-?
The molecular formula of 2-Propenal, 3-[4-(1-methylethyl)phenyl]- is C12H14O.
What is the molecular weight of 2-Propenal, 3-[4-(1-methylethyl)phenyl]-?
The molecular weight of 2-Propenal, 3-[4-(1-methylethyl)phenyl]- is 174.10 g/mol.
Where can I buy 2-Propenal, 3-[4-(1-methylethyl)phenyl]-?
You can request a quote for 2-Propenal, 3-[4-(1-methylethyl)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 3-[4-(1-methylethyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 3-[4-(1-methylethyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.