BAS 00398043
TL;DR: BAS 00398043 (CAS 299405-60-0) is a chemical compound with molecular formula C12H11BrF3N3O2 and molecular weight 365.00 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-(furan-2-ylmethyl)acetamide
Also Known As: BAS 00398043, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide, 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C12H11BrF3N3O2 |
|---|---|
| Molecular Weight | 365.00 g/mol |
| LogP | 2.88222 |
| Topological Polar Surface Area | 60.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.99866 |
| Heavy Atoms | 21 |
| Complexity | 634.9586 |
Chemical Identifiers
| CAS Number | 299405-60-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)C(F)(F)F)Br |
Product Overview
BAS 00398043 (CAS 299405-60-0), with molecular formula C12H11BrF3N3O2 and molecular weight 365.00 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of BAS 00398043
Property Insights of BAS 00398043
The XLogP value of 2.88222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00398043. The TPSA of 60.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00398043. Following Lipinski's Rule of Five, BAS 00398043 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 00398043?
The CAS number of BAS 00398043 is 299405-60-0.
What is the molecular formula of BAS 00398043?
The molecular formula of BAS 00398043 is C12H11BrF3N3O2.
What is the molecular weight of BAS 00398043?
The molecular weight of BAS 00398043 is 365.00 g/mol.
Where can I buy BAS 00398043?
You can request a quote for BAS 00398043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398043?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.