F0541-0839
TL;DR: F0541-0839 (CAS 450338-04-2) is a chemical compound with molecular formula C20H18N4O6S and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
Also Known As: F0541-0839, N-[2-(4-methoxyphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide, N-[2-(4-methoxyphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide, N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide, N-(2-(4-methoxyphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide
| Molecular Formula | C20H18N4O6S |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 2.77822 |
| Topological Polar Surface Area | 133.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0947 |
| Heavy Atoms | 31 |
| Complexity | 1312.1832 |
Chemical Identifiers
| CAS Number | 450338-04-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)OC |
Product Overview
F0541-0839 (CAS 450338-04-2), with molecular formula C20H18N4O6S and molecular weight 442.09 g/mol. IUPAC: N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of F0541-0839
Property Insights of F0541-0839
The XLogP value of 2.77822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0839. The TPSA of 133.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0839. Following Lipinski's Rule of Five, F0541-0839 has 1 hydrogen bond donor(s) and 7 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 F0541-0839?
The CAS number of F0541-0839 is 450338-04-2.
What is the molecular formula of F0541-0839?
The molecular formula of F0541-0839 is C20H18N4O6S.
What is the molecular weight of F0541-0839?
The molecular weight of F0541-0839 is 442.09 g/mol.
Where can I buy F0541-0839?
You can request a quote for F0541-0839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0839?
Yes, KEHONG BIO provides custom synthesis services for F0541-0839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.