AB00164543-07
TL;DR: AB00164543-07 (CAS 449784-11-6) is a chemical compound with molecular formula C17H18F3N3O3S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
Also Known As: AB00164543-07, F0541-0043, N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide, N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-2-(trifluoromethyl)benzamide, N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
| Molecular Formula | C17H18F3N3O3S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.3376 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.1021 |
| Heavy Atoms | 27 |
| Complexity | 1018.2653 |
Chemical Identifiers
| CAS Number | 449784-11-6 |
|---|---|
| SMILES | CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=CC=C3C(F)(F)F |
Product Overview
AB00164543-07 (CAS 449784-11-6), with molecular formula C17H18F3N3O3S and molecular weight 401.10 g/mol. IUPAC: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide.
Chemical Property Profile of AB00164543-07
Property Insights of AB00164543-07
The XLogP value of 3.3376 indicates that AB00164543-07 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00164543-07. Following Lipinski's Rule of Five, AB00164543-07 has 1 hydrogen bond donor(s) and 4 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 AB00164543-07?
The CAS number of AB00164543-07 is 449784-11-6.
What is the molecular formula of AB00164543-07?
The molecular formula of AB00164543-07 is C17H18F3N3O3S.
What is the molecular weight of AB00164543-07?
The molecular weight of AB00164543-07 is 401.10 g/mol.
Where can I buy AB00164543-07?
You can request a quote for AB00164543-07 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00164543-07?
Yes, KEHONG BIO provides custom synthesis services for AB00164543-07 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.