BAS 00414873
TL;DR: BAS 00414873 (CAS 355368-35-3) is a chemical compound with molecular formula C12H15BrF3N3O2 and molecular weight 369.03 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-(oxolan-2-ylmethyl)acetamide
Also Known As: BAS 00414873, AB00093290-01, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide, 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
| Molecular Formula | C12H15BrF3N3O2 |
|---|---|
| Molecular Weight | 369.03 g/mol |
| LogP | 2.26802 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.02997 |
| Heavy Atoms | 21 |
| Complexity | 524.55273 |
Chemical Identifiers
| CAS Number | 355368-35-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2CCCO2)C(F)(F)F)Br |
Product Overview
BAS 00414873 (CAS 355368-35-3), with molecular formula C12H15BrF3N3O2 and molecular weight 369.03 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of BAS 00414873
Property Insights of BAS 00414873
The XLogP value of 2.26802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00414873. With a topological polar surface area (TPSA) of 56.15 Ų, BAS 00414873 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414873 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 00414873?
The CAS number of BAS 00414873 is 355368-35-3.
What is the molecular formula of BAS 00414873?
The molecular formula of BAS 00414873 is C12H15BrF3N3O2.
What is the molecular weight of BAS 00414873?
The molecular weight of BAS 00414873 is 369.03 g/mol.
Where can I buy BAS 00414873?
You can request a quote for BAS 00414873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414873?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.