F0541-0644
TL;DR: F0541-0644 (CAS 450336-45-5) is a chemical compound with molecular formula C19H15N5O7S and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: F0541-0644, 4-methyl-3-nitro-N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-methyl-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-methyl-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-methyl-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C19H15N5O7S |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 2.67782 |
| Topological Polar Surface Area | 167.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0692 |
| Heavy Atoms | 32 |
| Complexity | 1394.1649 |
Chemical Identifiers
| CAS Number | 450336-45-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
F0541-0644 (CAS 450336-45-5), with molecular formula C19H15N5O7S and molecular weight 457.07 g/mol. IUPAC: 4-methyl-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of F0541-0644
Property Insights of F0541-0644
The XLogP value of 2.67782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0541-0644. The TPSA of 167.34 Ų indicates high polarity, suggesting F0541-0644 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0541-0644 has 1 hydrogen bond donor(s) and 8 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 F0541-0644?
The CAS number of F0541-0644 is 450336-45-5.
What is the molecular formula of F0541-0644?
The molecular formula of F0541-0644 is C19H15N5O7S.
What is the molecular weight of F0541-0644?
The molecular weight of F0541-0644 is 457.07 g/mol.
Where can I buy F0541-0644?
You can request a quote for F0541-0644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0644?
Yes, KEHONG BIO provides custom synthesis services for F0541-0644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.