Cuminyl acetaldehyde
TL;DR: Cuminyl acetaldehyde (CAS 7775-00-0) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-propan-2-ylphenyl)propanal
Also Known As: Cuminyl acetaldehyde, Cuminacetaldehyde, Cymylpropanal, p-, p-Cymylpropanal, 3-(4-isopropylphenyl)propanal
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 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 | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
| Density | 0.946-0.952 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.503-1.508 |
Chemical Identifiers
| CAS Number | 7775-00-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CCC=O |
| InChIKey | RLEFOSDUWZYGOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cuminyl acetaldehyde (CAS 7775-00-0), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-(4-propan-2-ylphenyl)propanal.
Chemical Property Profile of Cuminyl acetaldehyde
Property Insights of Cuminyl acetaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cuminyl acetaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, Cuminyl acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cuminyl acetaldehyde 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 Cuminyl acetaldehyde?
The CAS number of Cuminyl acetaldehyde is 7775-00-0.
What is the molecular formula of Cuminyl acetaldehyde?
The molecular formula of Cuminyl acetaldehyde is C12H16O.
What is the molecular weight of Cuminyl acetaldehyde?
The molecular weight of Cuminyl acetaldehyde is 176.12 g/mol.
Where can I buy Cuminyl acetaldehyde?
You can request a quote for Cuminyl acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cuminyl acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Cuminyl acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.