A2729/0115877
TL;DR: A2729/0115877 (CAS 433701-80-5) is a chemical compound with molecular formula C24H16F4N4O2 and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-fluorobenzoyl)amino]-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Also Known As: A2729/0115877, 5-[(2-fluorobenzoyl)amino]-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide, 5-(2-FLUOROBENZAMIDO)-1-PHENYL-N-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXAMIDE, 5-{[(2-fluorophenyl)carbonyl]amino}-1-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
| Molecular Formula | C24H16F4N4O2 |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 5.5348 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.12094 |
| Heavy Atoms | 34 |
| Complexity | 1350.5977 |
Chemical Identifiers
| CAS Number | 433701-80-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)C4=CC=CC=C4F |
Product Overview
A2729/0115877 (CAS 433701-80-5), with molecular formula C24H16F4N4O2 and molecular weight 468.12 g/mol. IUPAC: 5-[(2-fluorobenzoyl)amino]-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
Chemical Property Profile of A2729/0115877
Property Insights of A2729/0115877
The XLogP value of 5.5348 indicates that A2729/0115877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A2729/0115877. Following Lipinski's Rule of Five, A2729/0115877 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2729/0115877?
The CAS number of A2729/0115877 is 433701-80-5.
What is the molecular formula of A2729/0115877?
The molecular formula of A2729/0115877 is C24H16F4N4O2.
What is the molecular weight of A2729/0115877?
The molecular weight of A2729/0115877 is 468.12 g/mol.
Where can I buy A2729/0115877?
You can request a quote for A2729/0115877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2729/0115877?
Yes, KEHONG BIO provides custom synthesis services for A2729/0115877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.