F0453-0504
TL;DR: F0453-0504 (CAS 391866-58-3) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide
Also Known As: F0453-0504, N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide, N-{2-tert-butyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}-2-methyl-3-nitrobenzamide, N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 3.85382 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 867.5084 |
Chemical Identifiers
| CAS Number | 391866-58-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3CSCC3=NN2C(C)(C)C |
Product Overview
F0453-0504 (CAS 391866-58-3), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide.
Chemical Property Profile of F0453-0504
Property Insights of F0453-0504
The XLogP value of 3.85382 indicates that F0453-0504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0453-0504. Following Lipinski's Rule of Five, F0453-0504 has 1 hydrogen bond donor(s) and 5 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 F0453-0504?
The CAS number of F0453-0504 is 391866-58-3.
What is the molecular formula of F0453-0504?
The molecular formula of F0453-0504 is C17H20N4O3S.
What is the molecular weight of F0453-0504?
The molecular weight of F0453-0504 is 360.13 g/mol.
Where can I buy F0453-0504?
You can request a quote for F0453-0504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0453-0504?
Yes, KEHONG BIO provides custom synthesis services for F0453-0504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.