starbld0007267
TL;DR: starbld0007267 (CAS 174514-08-0) is a chemical compound with molecular formula C12H6BrClF4N2O2 and molecular weight 399.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid
Also Known As: starbld0007267, 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid, OMN
| Molecular Formula | C12H6BrClF4N2O2 |
|---|---|
| Molecular Weight | 399.92 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.92374 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 174514-08-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)Br)C(F)(F)F |
| InChIKey | YNMHKERYELPEEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
starbld0007267 (CAS 174514-08-0), with molecular formula C12H6BrClF4N2O2 and molecular weight 399.92 g/mol. IUPAC: 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid.
Chemical Property Profile of starbld0007267
Property Insights of starbld0007267
The XLogP value of 3.8 indicates that starbld0007267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, starbld0007267 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, starbld0007267 has 1 hydrogen bond donor(s) and 7 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 starbld0007267?
The CAS number of starbld0007267 is 174514-08-0.
What is the molecular formula of starbld0007267?
The molecular formula of starbld0007267 is C12H6BrClF4N2O2.
What is the molecular weight of starbld0007267?
The molecular weight of starbld0007267 is 399.92 g/mol.
Where can I buy starbld0007267?
You can request a quote for starbld0007267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0007267?
Yes, KEHONG BIO provides custom synthesis services for starbld0007267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.