BAS 00414869
TL;DR: BAS 00414869 (CAS 352024-64-7) is a chemical compound with molecular formula C14H13BrF3N3OS and molecular weight 406.99 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-(2-methylsulfanylphenyl)acetamide
Also Known As: BAS 00414869, AB00093364-01, BRD-K64034413-001-01-6, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(methylsulfanyl)phenyl]acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
| Molecular Formula | C14H13BrF3N3OS |
|---|---|
| Molecular Weight | 406.99 g/mol |
| LogP | 4.33342 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.9915 |
| Heavy Atoms | 23 |
| Complexity | 730.54297 |
Chemical Identifiers
| CAS Number | 352024-64-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC)C(F)(F)F)Br |
Product Overview
BAS 00414869 (CAS 352024-64-7), with molecular formula C14H13BrF3N3OS and molecular weight 406.99 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide.
Chemical Property Profile of BAS 00414869
Property Insights of BAS 00414869
The XLogP value of 4.33342 indicates that BAS 00414869 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 00414869 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414869 has 1 hydrogen bond donor(s) and 3 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 00414869?
The CAS number of BAS 00414869 is 352024-64-7.
What is the molecular formula of BAS 00414869?
The molecular formula of BAS 00414869 is C14H13BrF3N3OS.
What is the molecular weight of BAS 00414869?
The molecular weight of BAS 00414869 is 406.99 g/mol.
Where can I buy BAS 00414869?
You can request a quote for BAS 00414869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414869?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.