F0541-1112
TL;DR: F0541-1112 (CAS 450339-53-4) is a chemical compound with molecular formula C20H18FN3O3S and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-fluorobenzamide
Also Known As: F0541-1112, N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-fluorobenzamide, N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-fluorobenzamide, N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-4-fluorobenzamide, N-[2-(2,4-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-4-fluorobenzamide
| Molecular Formula | C20H18FN3O3S |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.30894 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1053 |
| Heavy Atoms | 28 |
| Complexity | 1198.1791 |
Chemical Identifiers
| CAS Number | 450339-53-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=C(C=C4)F)C |
Product Overview
F0541-1112 (CAS 450339-53-4), with molecular formula C20H18FN3O3S and molecular weight 399.11 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-fluorobenzamide.
Chemical Property Profile of F0541-1112
Property Insights of F0541-1112
The XLogP value of 3.30894 indicates that F0541-1112 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 F0541-1112. Following Lipinski's Rule of Five, F0541-1112 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 F0541-1112?
The CAS number of F0541-1112 is 450339-53-4.
What is the molecular formula of F0541-1112?
The molecular formula of F0541-1112 is C20H18FN3O3S.
What is the molecular weight of F0541-1112?
The molecular weight of F0541-1112 is 399.11 g/mol.
Where can I buy F0541-1112?
You can request a quote for F0541-1112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-1112?
Yes, KEHONG BIO provides custom synthesis services for F0541-1112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.