F0541-0728
TL;DR: F0541-0728 (CAS 450337-04-9) is a chemical compound with molecular formula C18H13FN4O5S and molecular weight 416.06 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]-4-nitrobenzamide
Also Known As: F0541-0728, N-(2-(4-fluorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-nitrobenzamide, N-[2-(4-fluorophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide, N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide, N-[2-(4-fluorophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
| Molecular Formula | C18H13FN4O5S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 2.6003 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.05908 |
| Heavy Atoms | 29 |
| Complexity | 1234.5059 |
Chemical Identifiers
| CAS Number | 450337-04-9 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F0541-0728 (CAS 450337-04-9), with molecular formula C18H13FN4O5S and molecular weight 416.06 g/mol. IUPAC: N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide.
Chemical Property Profile of F0541-0728
Property Insights of F0541-0728
The XLogP value of 2.6003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0728. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0728. Following Lipinski's Rule of Five, F0541-0728 has 1 hydrogen bond donor(s) and 6 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 F0541-0728?
The CAS number of F0541-0728 is 450337-04-9.
What is the molecular formula of F0541-0728?
The molecular formula of F0541-0728 is C18H13FN4O5S.
What is the molecular weight of F0541-0728?
The molecular weight of F0541-0728 is 416.06 g/mol.
Where can I buy F0541-0728?
You can request a quote for F0541-0728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0728?
Yes, KEHONG BIO provides custom synthesis services for F0541-0728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.