F0541-0091
TL;DR: F0541-0091 (CAS 449784-87-6) is a chemical compound with molecular formula C20H21ClN4O4S and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: F0541-0091, N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide, N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide, N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide, 3-tert-butyl-4-[3-(o-chlorophenyl)-5-methyl-4-isoxazolylcarbonylamino]-7-oxo-7lambda-thia-2,3-diazabicyclo[3.3.0]octa-1,4-dien-7-ium-7-olate
| Molecular Formula | C20H21ClN4O4S |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 3.93562 |
| Topological Polar Surface Area | 107.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.0972 |
| Heavy Atoms | 30 |
| Complexity | 1268.45 |
Chemical Identifiers
| CAS Number | 449784-87-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C4CS(=O)(=O)CC4=NN3C(C)(C)C |
Product Overview
F0541-0091 (CAS 449784-87-6), with molecular formula C20H21ClN4O4S and molecular weight 448.10 g/mol. IUPAC: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of F0541-0091
Property Insights of F0541-0091
The XLogP value of 3.93562 indicates that F0541-0091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0541-0091. Following Lipinski's Rule of Five, F0541-0091 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 F0541-0091?
The CAS number of F0541-0091 is 449784-87-6.
What is the molecular formula of F0541-0091?
The molecular formula of F0541-0091 is C20H21ClN4O4S.
What is the molecular weight of F0541-0091?
The molecular weight of F0541-0091 is 448.10 g/mol.
Where can I buy F0541-0091?
You can request a quote for F0541-0091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0541-0091?
Yes, KEHONG BIO provides custom synthesis services for F0541-0091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.