F0541-0696
TL;DR: F0541-0696 (CAS 450336-74-0) is a chemical compound with molecular formula C17H18FN3O3S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
Also Known As: F0541-0696, N-[2-(4-fluorophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide, N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide, N-(2-(4-fluorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide
| Molecular Formula | C17H18FN3O3S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.5685 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1053 |
| Heavy Atoms | 25 |
| Complexity | 928.79285 |
Chemical Identifiers
| CAS Number | 450336-74-0 |
|---|---|
| SMILES | C1CCC(C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)F |
Product Overview
F0541-0696 (CAS 450336-74-0), with molecular formula C17H18FN3O3S and molecular weight 363.11 g/mol. IUPAC: N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide.
Chemical Property Profile of F0541-0696
Property Insights of F0541-0696
The XLogP value of 2.5685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0696. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0696. Following Lipinski's Rule of Five, F0541-0696 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 F0541-0696?
The CAS number of F0541-0696 is 450336-74-0.
What is the molecular formula of F0541-0696?
The molecular formula of F0541-0696 is C17H18FN3O3S.
What is the molecular weight of F0541-0696?
The molecular weight of F0541-0696 is 363.11 g/mol.
Where can I buy F0541-0696?
You can request a quote for F0541-0696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0696?
Yes, KEHONG BIO provides custom synthesis services for F0541-0696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.