BAS 00414877
TL;DR: BAS 00414877 (CAS 353463-91-9) is a chemical compound with molecular formula C14H12ClF3N4O3 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
Also Known As: BAS 00414877, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide, N~1~-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)ACETAMIDE
| Molecular Formula | C14H12ClF3N4O3 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 3.71904 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.055 |
| Heavy Atoms | 25 |
| Complexity | 848.578 |
Chemical Identifiers
| CAS Number | 353463-91-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C)[N+](=O)[O-] |
Product Overview
BAS 00414877 (CAS 353463-91-9), with molecular formula C14H12ClF3N4O3 and molecular weight 376.06 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of BAS 00414877
Property Insights of BAS 00414877
The XLogP value of 3.71904 indicates that BAS 00414877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414877. Following Lipinski's Rule of Five, BAS 00414877 has 1 hydrogen bond donor(s) and 4 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 BAS 00414877?
The CAS number of BAS 00414877 is 353463-91-9.
What is the molecular formula of BAS 00414877?
The molecular formula of BAS 00414877 is C14H12ClF3N4O3.
What is the molecular weight of BAS 00414877?
The molecular weight of BAS 00414877 is 376.06 g/mol.
Where can I buy BAS 00414877?
You can request a quote for BAS 00414877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414877?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.