N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
TL;DR: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide (CAS 868375-55-7) is a chemical compound with molecular formula C16H11F2N3O3S and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
Also Known As: F1814-1746, N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide, N-[(2Z)-3-ethyl-4,6-difluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide, (Z)-N-(3-ethyl-4,6-difluorobenzo[d]thiazol-2(3H)-ylidene)-2-nitrobenzamide, [(Z)-3-ethyl-4,6-difluoro-2,3-dihydro-1,3-benzothiazol-2-ylideneamino](o-nitrophenyl)methanone
| Molecular Formula | C16H11F2N3O3S |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 3.6502 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.04892 |
| Heavy Atoms | 25 |
| Complexity | 1072.1625 |
Chemical Identifiers
| CAS Number | 868375-55-7 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])F)F |
Product Overview
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide (CAS 868375-55-7), with molecular formula C16H11F2N3O3S and molecular weight 363.05 g/mol. IUPAC: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide.
Chemical Property Profile of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
Property Insights of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
The XLogP value of 3.6502 indicates that N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide has 0 hydrogen bond donor(s) and 4 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 N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
The CAS number of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is 868375-55-7.
What is the molecular formula of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
The molecular formula of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is C16H11F2N3O3S.
What is the molecular weight of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
The molecular weight of N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is 363.05 g/mol.
Where can I buy N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
You can request a quote for N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.