![4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline structure](/static/products/5317/5317-77-1.webp)
4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline
TL;DR: 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline (CAS 5317-77-1) is a chemical compound with molecular formula C21H15N3O2S and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-nitrophenyl)methanimine
Also Known As: 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline, N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-nitrophenyl)methanimine, 4-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-nitrobenzylidene)aniline, (E)-N-[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-nitrophenyl)methanimine, N-[4-(6-METHYLBENZOTHIAZOL-2-YL)PHENYL]-1-(2-NITROPHENYL)METHANIMINE
| Molecular Formula | C21H15N3O2S |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 5.93052 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0885 |
| Heavy Atoms | 27 |
| Complexity | 1163.7441 |
Chemical Identifiers
| CAS Number | 5317-77-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline (CAS 5317-77-1), with molecular formula C21H15N3O2S and molecular weight 373.09 g/mol. IUPAC: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-nitrophenyl)methanimine.
Chemical Property Profile of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline
Property Insights of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline
The XLogP value of 5.93052 indicates that 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline. Following Lipinski's Rule of Five, 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline?
The CAS number of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline is 5317-77-1.
What is the molecular formula of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline?
The molecular formula of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline is C21H15N3O2S.
What is the molecular weight of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline?
The molecular weight of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline is 373.09 g/mol.
Where can I buy 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline?
You can request a quote for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(2-nitrophenyl)methylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.