F0541-0040
TL;DR: F0541-0040 (CAS 449784-05-8) is a chemical compound with molecular formula C16H18N4O5S and molecular weight 378.10 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)-2-nitrobenzamide
Also Known As: F0541-0040, N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-nitrobenzamide, N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-2-nitrobenzamide, N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-nitrobenzamide
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 2.227 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 1017.74646 |
Chemical Identifiers
| CAS Number | 449784-05-8 |
|---|---|
| SMILES | CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
F0541-0040 (CAS 449784-05-8), with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol. IUPAC: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-nitrobenzamide.
Chemical Property Profile of F0541-0040
Property Insights of F0541-0040
The XLogP value of 2.227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0040. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0040. Following Lipinski's Rule of Five, F0541-0040 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 F0541-0040?
The CAS number of F0541-0040 is 449784-05-8.
What is the molecular formula of F0541-0040?
The molecular formula of F0541-0040 is C16H18N4O5S.
What is the molecular weight of F0541-0040?
The molecular weight of F0541-0040 is 378.10 g/mol.
Where can I buy F0541-0040?
You can request a quote for F0541-0040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0040?
Yes, KEHONG BIO provides custom synthesis services for F0541-0040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.