Ibufenac
TL;DR: Ibufenac (CAS 1553-60-2) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylpropyl)phenyl]acetic acid
Also Known As: Ibufenac, Dytransin, 4-Isobutylphenylacetic acid, Ibunac, Isodilan
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 1553-60-2 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)CC(=O)O |
| InChIKey | CYWFCPPBTWOZSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ibufenac (CAS 1553-60-2), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-[4-(2-methylpropyl)phenyl]acetic acid.
Chemical Property Profile of Ibufenac
Property Insights of Ibufenac
The XLogP value of 3.1 indicates that Ibufenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Ibufenac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibufenac has 1 hydrogen bond donor(s) and 2 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 Ibufenac?
The CAS number of Ibufenac is 1553-60-2.
What is the molecular formula of Ibufenac?
The molecular formula of Ibufenac is C12H16O2.
What is the molecular weight of Ibufenac?
The molecular weight of Ibufenac is 192.12 g/mol.
Where can I buy Ibufenac?
You can request a quote for Ibufenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibufenac?
Yes, KEHONG BIO provides custom synthesis services for Ibufenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.