BAS 00414816
TL;DR: BAS 00414816 (CAS 353455-64-8) is a chemical compound with molecular formula C12H8BrClF2N4O3 and molecular weight 407.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: BAS 00414816, N-(2-bromo-4,6-difluorophenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide, N-(6-bromo-2,4-difluorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazolyl)acetamide
| Molecular Formula | C12H8BrClF2N4O3 |
|---|---|
| Molecular Weight | 407.94 g/mol |
| LogP | 3.43252 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.94363 |
| Heavy Atoms | 23 |
| Complexity | 788.83887 |
Chemical Identifiers
| CAS Number | 353455-64-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2Br)F)F)[N+](=O)[O-])Cl |
Product Overview
BAS 00414816 (CAS 353455-64-8), with molecular formula C12H8BrClF2N4O3 and molecular weight 407.94 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of BAS 00414816
Property Insights of BAS 00414816
The XLogP value of 3.43252 indicates that BAS 00414816 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 00414816. Following Lipinski's Rule of Five, BAS 00414816 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 00414816?
The CAS number of BAS 00414816 is 353455-64-8.
What is the molecular formula of BAS 00414816?
The molecular formula of BAS 00414816 is C12H8BrClF2N4O3.
What is the molecular weight of BAS 00414816?
The molecular weight of BAS 00414816 is 407.94 g/mol.
Where can I buy BAS 00414816?
You can request a quote for BAS 00414816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414816?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.