F1105-0431
TL;DR: F1105-0431 (CAS 683238-15-5) is a chemical compound with molecular formula C18H15N3O5S2 and molecular weight 417.04532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
Also Known As: F1105-0431, (2E)-N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide, (2E,NZ)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-3-(4-nitrophenyl)acrylamide, N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide, (E)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
Technical Specifications
| Molecular Formula | C18H15N3O5S2 |
| Molecular Weight | 417.04532 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.04532 Da |
| Heavy Atoms | 28 |
| Complexity | 776.0 |
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | WASXAHBJSHGXPM-AYVOTNPBSA-N |
Chemical Property Profile of F1105-0431
Property Insights of F1105-0431
The XLogP value of 3.1 indicates that F1105-0431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting F1105-0431 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1105-0431 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of F1105-0431?
The CAS number of F1105-0431 is 683238-15-5.
What is the molecular formula of F1105-0431?
The molecular formula of F1105-0431 is C18H15N3O5S2.
What is the molecular weight of F1105-0431?
The molecular weight of F1105-0431 is 417.04532 g/mol.
Where can I buy F1105-0431?
You can request a quote for F1105-0431 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1105-0431?
Yes, CoreyChem provides custom synthesis services for F1105-0431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.