1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-
TL;DR: 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- (CAS 53510-39-7) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-prop-1-en-2-ylcyclohexen-1-yl)propanal
Also Known As: 3-(4-Isopropenyl-1-cyclohexen-1-yl)propanal, 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-, 4-(1-Methylvinyl)cyclohexene-1-propan-1-al, (Mentha-1.8(9)-dien-7-yl)acetaldehyd, 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propanal
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 53510-39-7 |
|---|---|
| SMILES | CC(=C)C1CCC(=CC1)CCC=O |
| InChIKey | HABLRVJHEDGWBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- (CAS 53510-39-7), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propanal.
Chemical Property Profile of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-
Property Insights of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- 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 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-?
The CAS number of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- is 53510-39-7.
What is the molecular formula of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-?
The molecular formula of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- is C12H18O.
What is the molecular weight of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-?
The molecular weight of 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- is 178.14 g/mol.
Where can I buy 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-?
You can request a quote for 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1-propanal, 4-(1-methylethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.