C21H20ClN3O3S
TL;DR: C21H20ClN3O3S (CAS 385391-21-9) is a chemical compound with molecular formula C21H20ClN3O3S and molecular weight 429.0914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine
Also Known As: N-{(E)-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide, (E)-3-(((3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide, 1-[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine, 1-[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine, 3-{(1E)-2-[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-azavinyl}thiol ane-1,1-dione
Technical Specifications
| Molecular Formula | C21H20ClN3O3S |
| Molecular Weight | 429.0914 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 81.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.0914 Da |
| Heavy Atoms | 29 |
| Complexity | 677.0 |
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2C=NC3CCS(=O)(=O)C3)C4=CC=CC=C4)Cl |
| InChIKey | CAAAGBCVQHEXOY-UHFFFAOYSA-N |
Chemical Property Profile of C21H20ClN3O3S
Property Insights of C21H20ClN3O3S
The XLogP value of 3.3 indicates that C21H20ClN3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H20ClN3O3S. Following Lipinski's Rule of Five, C21H20ClN3O3S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H20ClN3O3S?
The CAS number of C21H20ClN3O3S is 385391-21-9.
What is the molecular formula of C21H20ClN3O3S?
The molecular formula of C21H20ClN3O3S is C21H20ClN3O3S.
What is the molecular weight of C21H20ClN3O3S?
The molecular weight of C21H20ClN3O3S is 429.0914 g/mol.
Where can I buy C21H20ClN3O3S?
You can request a quote for C21H20ClN3O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H20ClN3O3S?
Yes, CoreyChem provides custom synthesis services for C21H20ClN3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.