F1105-0452
TL;DR: F1105-0452 (CAS 683247-59-8) is a chemical compound with molecular formula C16H12ClN3O5S2 and molecular weight 424.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
Also Known As: F1105-0452, (Z)-5-chloro-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-2-nitrobenzamide, 5-chloro-N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide, 5-chloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide, 5-chloro-N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)-2-nitro-benzamide
| Molecular Formula | C16H12ClN3O5S2 |
|---|---|
| Molecular Weight | 424.99 g/mol |
| LogP | 2.946 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.9907 |
| Heavy Atoms | 27 |
| Complexity | 1274.938 |
Chemical Identifiers
| CAS Number | 683247-59-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
F1105-0452 (CAS 683247-59-8), with molecular formula C16H12ClN3O5S2 and molecular weight 424.99 g/mol. IUPAC: 5-chloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide.
Chemical Property Profile of F1105-0452
Property Insights of F1105-0452
The XLogP value of 2.946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1105-0452. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for F1105-0452. Following Lipinski's Rule of Five, F1105-0452 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
Frequently Asked Questions
What is the CAS number of F1105-0452?
The CAS number of F1105-0452 is 683247-59-8.
What is the molecular formula of F1105-0452?
The molecular formula of F1105-0452 is C16H12ClN3O5S2.
What is the molecular weight of F1105-0452?
The molecular weight of F1105-0452 is 424.99 g/mol.
Where can I buy F1105-0452?
You can request a quote for F1105-0452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1105-0452?
Yes, KEHONG BIO provides custom synthesis services for F1105-0452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.