ChemDiv1_014754
TL;DR: ChemDiv1_014754 (CAS 449791-00-8) is a chemical compound with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014754, F0541-0535, 4-(tert-butyl)-N-(2-(4-chlorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-tert-butyl-N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, N-[2-(4-CHLOROPHENYL)-5,5-DIOXIDO-2,6-DIHYDRO-4H-THIENO[3,4-C]PYRAZOL-3-YL]-4-(2-METHYL-2-PROPANYL)BENZAMIDE
| Molecular Formula | C22H22ClN3O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.5039 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.10703 |
| Heavy Atoms | 30 |
| Complexity | 1222.3724 |
Chemical Identifiers
| CAS Number | 449791-00-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_014754 (CAS 449791-00-8), with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol. IUPAC: 4-tert-butyl-N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014754
Property Insights of ChemDiv1_014754
The XLogP value of 4.5039 indicates that ChemDiv1_014754 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 ChemDiv1_014754. Following Lipinski's Rule of Five, ChemDiv1_014754 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 ChemDiv1_014754?
The CAS number of ChemDiv1_014754 is 449791-00-8.
What is the molecular formula of ChemDiv1_014754?
The molecular formula of ChemDiv1_014754 is C22H22ClN3O3S.
What is the molecular weight of ChemDiv1_014754?
The molecular weight of ChemDiv1_014754 is 443.11 g/mol.
Where can I buy ChemDiv1_014754?
You can request a quote for ChemDiv1_014754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014754?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.