F0453-0474
TL;DR: F0453-0474 (CAS 391866-41-4) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Also Known As: F0453-0474, 2-methyl-N-[2-(3-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide, 2-methyl-3-nitro-N-(2-(m-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 2-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.39644 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1106.8254 |
Chemical Identifiers
| CAS Number | 391866-41-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C3CSCC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C |
Product Overview
F0453-0474 (CAS 391866-41-4), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 2-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide.
Chemical Property Profile of F0453-0474
Property Insights of F0453-0474
The XLogP value of 4.39644 indicates that F0453-0474 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 F0453-0474. Following Lipinski's Rule of Five, F0453-0474 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 F0453-0474?
The CAS number of F0453-0474 is 391866-41-4.
What is the molecular formula of F0453-0474?
The molecular formula of F0453-0474 is C20H18N4O3S.
What is the molecular weight of F0453-0474?
The molecular weight of F0453-0474 is 394.11 g/mol.
Where can I buy F0453-0474?
You can request a quote for F0453-0474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0453-0474?
Yes, KEHONG BIO provides custom synthesis services for F0453-0474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.