BAS 00414853
TL;DR: BAS 00414853 (CAS 355416-43-2) is a chemical compound with molecular formula C16H16F3N3O and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: BAS 00414853, AB00092711-01, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,2,3,4-tetrahydroquinoline, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
| Molecular Formula | C16H16F3N3O |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.18972 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.12454 |
| Heavy Atoms | 23 |
| Complexity | 736.412 |
Chemical Identifiers
| CAS Number | 355416-43-2 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)N2CCCC3=CC=CC=C32)C(F)(F)F |
Product Overview
BAS 00414853 (CAS 355416-43-2), with molecular formula C16H16F3N3O and molecular weight 323.12 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of BAS 00414853
Property Insights of BAS 00414853
The XLogP value of 3.18972 indicates that BAS 00414853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, BAS 00414853 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414853 has 0 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 00414853?
The CAS number of BAS 00414853 is 355416-43-2.
What is the molecular formula of BAS 00414853?
The molecular formula of BAS 00414853 is C16H16F3N3O.
What is the molecular weight of BAS 00414853?
The molecular weight of BAS 00414853 is 323.12 g/mol.
Where can I buy BAS 00414853?
You can request a quote for BAS 00414853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414853?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.