Carfentrazone
TL;DR: Carfentrazone (CAS 128621-72-7) is a chemical compound with molecular formula C13H10Cl2F3N3O3 and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid
Also Known As: Carfentrazone, Affinty, Carfentrazone [ISO], ORATIO, Carfentrazone (free acid)
| Molecular Formula | C13H10Cl2F3N3O3 |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.00513 |
| Heavy Atoms | 24 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 128621-72-7 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F |
| InChIKey | YHKBGVDUSSWOAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carfentrazone (CAS 128621-72-7), with molecular formula C13H10Cl2F3N3O3 and molecular weight 383.01 g/mol. IUPAC: 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid.
Chemical Property Profile of Carfentrazone
Property Insights of Carfentrazone
The XLogP value of 3.3 indicates that Carfentrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carfentrazone. Following Lipinski's Rule of Five, Carfentrazone 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 Carfentrazone?
The CAS number of Carfentrazone is 128621-72-7.
What is the molecular formula of Carfentrazone?
The molecular formula of Carfentrazone is C13H10Cl2F3N3O3.
What is the molecular weight of Carfentrazone?
The molecular weight of Carfentrazone is 383.01 g/mol.
Where can I buy Carfentrazone?
You can request a quote for Carfentrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carfentrazone?
Yes, KEHONG BIO provides custom synthesis services for Carfentrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.