BAS 02868444
TL;DR: BAS 02868444 (CAS 493022-94-9) is a chemical compound with molecular formula C18H18ClFN6O3 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
Also Known As: BAS 02868444, 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide, 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide, 2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide
| Molecular Formula | C18H18ClFN6O3 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 3.39256 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.1113 |
| Heavy Atoms | 29 |
| Complexity | 1090.2043 |
Chemical Identifiers
| CAS Number | 493022-94-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C |
Product Overview
BAS 02868444 (CAS 493022-94-9), with molecular formula C18H18ClFN6O3 and molecular weight 420.11 g/mol. IUPAC: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.
Chemical Property Profile of BAS 02868444
Property Insights of BAS 02868444
The XLogP value of 3.39256 indicates that BAS 02868444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02868444. Following Lipinski's Rule of Five, BAS 02868444 has 1 hydrogen bond donor(s) and 5 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 02868444?
The CAS number of BAS 02868444 is 493022-94-9.
What is the molecular formula of BAS 02868444?
The molecular formula of BAS 02868444 is C18H18ClFN6O3.
What is the molecular weight of BAS 02868444?
The molecular weight of BAS 02868444 is 420.11 g/mol.
Where can I buy BAS 02868444?
You can request a quote for BAS 02868444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02868444?
Yes, KEHONG BIO provides custom synthesis services for BAS 02868444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.