ChemDiv1_014668
TL;DR: ChemDiv1_014668 (CAS 449792-03-4) is a chemical compound with molecular formula C22H16Cl2N4O4S and molecular weight 502.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: ChemDiv1_014668, F0541-0581, 3-(2-chlorophenyl)-N-(2-(4-chlorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide, 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C22H16Cl2N4O4S |
|---|---|
| Molecular Weight | 502.03 g/mol |
| LogP | 4.82322 |
| Topological Polar Surface Area | 107.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.02692 |
| Heavy Atoms | 33 |
| Complexity | 1507.8859 |
Chemical Identifiers
| CAS Number | 449792-03-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C4CS(=O)(=O)CC4=NN3C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_014668 (CAS 449792-03-4), with molecular formula C22H16Cl2N4O4S and molecular weight 502.03 g/mol. IUPAC: 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of ChemDiv1_014668
Property Insights of ChemDiv1_014668
The XLogP value of 4.82322 indicates that ChemDiv1_014668 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 ChemDiv1_014668. Following Lipinski's Rule of Five, ChemDiv1_014668 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014668?
The CAS number of ChemDiv1_014668 is 449792-03-4.
What is the molecular formula of ChemDiv1_014668?
The molecular formula of ChemDiv1_014668 is C22H16Cl2N4O4S.
What is the molecular weight of ChemDiv1_014668?
The molecular weight of ChemDiv1_014668 is 502.03 g/mol.
Where can I buy ChemDiv1_014668?
You can request a quote for ChemDiv1_014668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014668?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.