Bourgeonal
TL;DR: Bourgeonal (CAS 18127-01-0) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)propanal
Also Known As: Bourgeonal, 3-(4-tert-butylphenyl)propanal, 3-(4-(tert-Butyl)phenyl)propanal, Benzenepropanal, 4-(1,1-dimethylethyl)-, p-tert-Butyldihydrocinnamaldehyde
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 18127-01-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CCC=O |
| InChIKey | FZJUFJKVIYFBSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bourgeonal (CAS 18127-01-0), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 3-(4-tert-butylphenyl)propanal.
Chemical Property Profile of Bourgeonal
Property Insights of Bourgeonal
The XLogP value of 3.3 indicates that Bourgeonal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Bourgeonal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bourgeonal 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 Bourgeonal?
The CAS number of Bourgeonal is 18127-01-0.
What is the molecular formula of Bourgeonal?
The molecular formula of Bourgeonal is C13H18O.
What is the molecular weight of Bourgeonal?
The molecular weight of Bourgeonal is 190.14 g/mol.
Where can I buy Bourgeonal?
You can request a quote for Bourgeonal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bourgeonal?
Yes, KEHONG BIO provides custom synthesis services for Bourgeonal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.