F1105-0450
TL;DR: F1105-0450 (CAS 1164539-54-1) is a chemical compound with molecular formula C16H13N3O5S2 and molecular weight 391.02966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
Also Known As: F1105-0450, (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-2-nitrobenzamide, N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide, N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide, N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)-2-nitro-benzamide
Technical Specifications
| Molecular Formula | C16H13N3O5S2 |
| Molecular Weight | 391.02966 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.02966 Da |
| Heavy Atoms | 26 |
| Complexity | 712.0 |
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | ADGKPBVDXZLRFK-UHFFFAOYSA-N |
Chemical Property Profile of F1105-0450
Property Insights of F1105-0450
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1105-0450. The TPSA of 146.0 Ų indicates high polarity, suggesting F1105-0450 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1105-0450 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 F1105-0450?
The CAS number of F1105-0450 is 1164539-54-1.
What is the molecular formula of F1105-0450?
The molecular formula of F1105-0450 is C16H13N3O5S2.
What is the molecular weight of F1105-0450?
The molecular weight of F1105-0450 is 391.02966 g/mol.
Where can I buy F1105-0450?
You can request a quote for F1105-0450 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1105-0450?
Yes, CoreyChem provides custom synthesis services for F1105-0450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.