F0541-0936
TL;DR: F0541-0936 (CAS 450338-91-7) is a chemical compound with molecular formula C20H17ClN4O5S and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
Also Known As: F0541-0936, 2-chloro-N-(2-(2,3-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide, 2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide, 2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide, 2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
| Molecular Formula | C20H17ClN4O5S |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 3.73144 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.06082 |
| Heavy Atoms | 31 |
| Complexity | 1364.13 |
Chemical Identifiers
| CAS Number | 450338-91-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C |
Product Overview
F0541-0936 (CAS 450338-91-7), with molecular formula C20H17ClN4O5S and molecular weight 460.06 g/mol. IUPAC: 2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide.
Chemical Property Profile of F0541-0936
Property Insights of F0541-0936
The XLogP value of 3.73144 indicates that F0541-0936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0936. Following Lipinski's Rule of Five, F0541-0936 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 F0541-0936?
The CAS number of F0541-0936 is 450338-91-7.
What is the molecular formula of F0541-0936?
The molecular formula of F0541-0936 is C20H17ClN4O5S.
What is the molecular weight of F0541-0936?
The molecular weight of F0541-0936 is 460.06 g/mol.
Where can I buy F0541-0936?
You can request a quote for F0541-0936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0936?
Yes, KEHONG BIO provides custom synthesis services for F0541-0936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.