BAS 00414858
TL;DR: BAS 00414858 (CAS 355416-47-6) is a chemical compound with molecular formula C14H12BrClF3N3O and molecular weight 408.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
Also Known As: BAS 00414858, AB00092958-01, BRD-K93151369-001-01-7, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chlorobenzyl)acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
| Molecular Formula | C14H12BrClF3N3O |
|---|---|
| Molecular Weight | 408.98 g/mol |
| LogP | 3.94262 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.98044 |
| Heavy Atoms | 23 |
| Complexity | 713.29297 |
Chemical Identifiers
| CAS Number | 355416-47-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)Cl)C(F)(F)F)Br |
Product Overview
BAS 00414858 (CAS 355416-47-6), with molecular formula C14H12BrClF3N3O and molecular weight 408.98 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide.
Chemical Property Profile of BAS 00414858
Property Insights of BAS 00414858
The XLogP value of 3.94262 indicates that BAS 00414858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, BAS 00414858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414858 has 1 hydrogen bond donor(s) and 2 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 00414858?
The CAS number of BAS 00414858 is 355416-47-6.
What is the molecular formula of BAS 00414858?
The molecular formula of BAS 00414858 is C14H12BrClF3N3O.
What is the molecular weight of BAS 00414858?
The molecular weight of BAS 00414858 is 408.98 g/mol.
Where can I buy BAS 00414858?
You can request a quote for BAS 00414858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414858?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.