Clopirac
TL;DR: Clopirac (CAS 42779-82-8) is a chemical compound with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Also Known As: CLOPIRAC, Clopiraco, Clopiracum, clopiran, beta-Zearalenol
| Molecular Formula | C14H14ClNO2 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07132 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 42779-82-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CC(=O)O |
| InChIKey | SJCRQMUYEQHNTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clopirac (CAS 42779-82-8), with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
Chemical Property Profile of Clopirac
Property Insights of Clopirac
The XLogP value of 3.2 indicates that Clopirac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, Clopirac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clopirac 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 Clopirac?
The CAS number of Clopirac is 42779-82-8.
What is the molecular formula of Clopirac?
The molecular formula of Clopirac is C14H14ClNO2.
What is the molecular weight of Clopirac?
The molecular weight of Clopirac is 263.07 g/mol.
Where can I buy Clopirac?
You can request a quote for Clopirac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clopirac?
Yes, KEHONG BIO provides custom synthesis services for Clopirac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.