Ibuprofenal
TL;DR: Ibuprofenal (CAS 51407-46-6) 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.
2-[4-(2-methylpropyl)phenyl]propanal
Also Known As: Ibuprofenal, 2-(4-Isobutylphenyl)propanal, 2-(4-Isobutylphenyl)propionaldehyde, 2-[4-(2-methylpropyl)phenyl]propanal, 2- propionaldehyde
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.5 |
| 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 | 166.0 |
Chemical Identifiers
| CAS Number | 51407-46-6 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C=O |
| InChIKey | DMZVZANOMJGHKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ibuprofenal (CAS 51407-46-6), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 2-[4-(2-methylpropyl)phenyl]propanal.
Chemical Property Profile of Ibuprofenal
Property Insights of Ibuprofenal
The XLogP value of 3.5 indicates that Ibuprofenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ibuprofenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibuprofenal 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 Ibuprofenal?
The CAS number of Ibuprofenal is 51407-46-6.
What is the molecular formula of Ibuprofenal?
The molecular formula of Ibuprofenal is C13H18O.
What is the molecular weight of Ibuprofenal?
The molecular weight of Ibuprofenal is 190.14 g/mol.
Where can I buy Ibuprofenal?
You can request a quote for Ibuprofenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibuprofenal?
Yes, KEHONG BIO provides custom synthesis services for Ibuprofenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.