F0541-0631
TL;DR: F0541-0631 (CAS 449792-96-5) is a chemical compound with molecular formula C19H13F3N4O5S and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
Also Known As: F0541-0631, N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide, N-[2-(4-nitrophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide, N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide, N-[2-(4-nitrophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
| Molecular Formula | C19H13F3N4O5S |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 3.48 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.05588 |
| Heavy Atoms | 32 |
| Complexity | 1348.273 |
Chemical Identifiers
| CAS Number | 449792-96-5 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4C(F)(F)F |
Product Overview
F0541-0631 (CAS 449792-96-5), with molecular formula C19H13F3N4O5S and molecular weight 466.06 g/mol. IUPAC: N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide.
Chemical Property Profile of F0541-0631
Property Insights of F0541-0631
The XLogP value of 3.48 indicates that F0541-0631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0631. Following Lipinski's Rule of Five, F0541-0631 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 F0541-0631?
The CAS number of F0541-0631 is 449792-96-5.
What is the molecular formula of F0541-0631?
The molecular formula of F0541-0631 is C19H13F3N4O5S.
What is the molecular weight of F0541-0631?
The molecular weight of F0541-0631 is 466.06 g/mol.
Where can I buy F0541-0631?
You can request a quote for F0541-0631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0631?
Yes, KEHONG BIO provides custom synthesis services for F0541-0631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.