F0541-0612
TL;DR: F0541-0612 (CAS 449792-68-1) is a chemical compound with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: F0541-0612, 4-methyl-N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 2.76962 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.08414 |
| Heavy Atoms | 29 |
| Complexity | 1228.8539 |
Chemical Identifiers
| CAS Number | 449792-68-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F0541-0612 (CAS 449792-68-1), with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol. IUPAC: 4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of F0541-0612
Property Insights of F0541-0612
The XLogP value of 2.76962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0612. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0612. Following Lipinski's Rule of Five, F0541-0612 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 F0541-0612?
The CAS number of F0541-0612 is 449792-68-1.
What is the molecular formula of F0541-0612?
The molecular formula of F0541-0612 is C19H16N4O5S.
What is the molecular weight of F0541-0612?
The molecular weight of F0541-0612 is 412.08 g/mol.
Where can I buy F0541-0612?
You can request a quote for F0541-0612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0612?
Yes, KEHONG BIO provides custom synthesis services for F0541-0612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.