F0541-0056
TL;DR: F0541-0056 (CAS 449784-35-4) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.12 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)-4-methyl-3-nitrobenzamide
Also Known As: F0541-0056, N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-4-methyl-3-nitrobenzamide, N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitrobenzamide, N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitrobenzamide, 4-METHYL-N-[2-(2-METHYL-2-PROPANYL)-5,5-DIOXIDO-2,6-DIHYDRO-4H-THIENO[3,4-C]PYRAZOL-3-YL]-3-NITROBENZAMIDE
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 2.53542 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 1063.7234 |
Chemical Identifiers
| CAS Number | 449784-35-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C(C)(C)C)[N+](=O)[O-] |
Product Overview
F0541-0056 (CAS 449784-35-4), with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol. IUPAC: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitrobenzamide.
Chemical Property Profile of F0541-0056
Property Insights of F0541-0056
The XLogP value of 2.53542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0056. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0056. Following Lipinski's Rule of Five, F0541-0056 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 F0541-0056?
The CAS number of F0541-0056 is 449784-35-4.
What is the molecular formula of F0541-0056?
The molecular formula of F0541-0056 is C17H20N4O5S.
What is the molecular weight of F0541-0056?
The molecular weight of F0541-0056 is 392.12 g/mol.
Where can I buy F0541-0056?
You can request a quote for F0541-0056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0056?
Yes, KEHONG BIO provides custom synthesis services for F0541-0056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.