F0541-0404
TL;DR: F0541-0404 (CAS 449788-90-3) is a chemical compound with molecular formula C22H28ClN3O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
Also Known As: F0541-0404, 4-butyl-N-(2-(3-chlorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide, 4-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide, 4-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide, 4-butyl-N-[2-(3-chlorophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide
| Molecular Formula | C22H28ClN3O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 4.8892 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.154 |
| Heavy Atoms | 30 |
| Complexity | 1039.8923 |
Chemical Identifiers
| CAS Number | 449788-90-3 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC(=CC=C4)Cl |
Product Overview
F0541-0404 (CAS 449788-90-3), with molecular formula C22H28ClN3O3S and molecular weight 449.15 g/mol. IUPAC: 4-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide.
Chemical Property Profile of F0541-0404
Property Insights of F0541-0404
The XLogP value of 4.8892 indicates that F0541-0404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0404. Following Lipinski's Rule of Five, F0541-0404 has 1 hydrogen bond donor(s) and 4 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 F0541-0404?
The CAS number of F0541-0404 is 449788-90-3.
What is the molecular formula of F0541-0404?
The molecular formula of F0541-0404 is C22H28ClN3O3S.
What is the molecular weight of F0541-0404?
The molecular weight of F0541-0404 is 449.15 g/mol.
Where can I buy F0541-0404?
You can request a quote for F0541-0404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0404?
Yes, KEHONG BIO provides custom synthesis services for F0541-0404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.