F1366-2996
TL;DR: F1366-2996 (CAS 887210-60-8) is a chemical compound with molecular formula C18H16N4O7S2 and molecular weight 464.04605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-(2-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-2996, (Z)-ethyl 2-(2-((2-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate, ethyl 2-[(2Z)-2-[(2-nitrobenzoyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, ethyl 2-[2-(2-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate, Ethyl 2-[2-(2-nitrobenzoyl)imino-6-sulfamoyl-benzothiazol-3-yl]acetate
Technical Specifications
| Molecular Formula | C18H16N4O7S2 |
| Molecular Weight | 464.04605 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.04605 Da |
| Heavy Atoms | 31 |
| Complexity | 852.0 |
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | NJXVPGZPFKDRHN-UHFFFAOYSA-N |
Chemical Property Profile of F1366-2996
Property Insights of F1366-2996
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1366-2996. The TPSA of 199.0 Ų indicates high polarity, suggesting F1366-2996 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1366-2996 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of F1366-2996?
The CAS number of F1366-2996 is 887210-60-8.
What is the molecular formula of F1366-2996?
The molecular formula of F1366-2996 is C18H16N4O7S2.
What is the molecular weight of F1366-2996?
The molecular weight of F1366-2996 is 464.04605 g/mol.
Where can I buy F1366-2996?
You can request a quote for F1366-2996 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F1366-2996?
Yes, CoreyChem provides custom synthesis services for F1366-2996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.