N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine
TL;DR: N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine (CAS 389065-44-5) is a chemical compound with molecular formula C22H17N3O2S2 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)methanimine
Also Known As: N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine, (1E)-N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)methanimine, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)methanimine
| Molecular Formula | C22H17N3O2S2 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 6.5624 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.07623 |
| Heavy Atoms | 29 |
| Complexity | 1205.9214 |
Chemical Identifiers
| CAS Number | 389065-44-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4 |
Product Overview
N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine (CAS 389065-44-5), with molecular formula C22H17N3O2S2 and molecular weight 419.08 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-nitrophenyl)methanimine.
Chemical Property Profile of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine
Property Insights of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine
The XLogP value of 6.5624 indicates that N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine 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 N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine. Following Lipinski's Rule of Five, N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine?
The CAS number of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine is 389065-44-5.
What is the molecular formula of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine?
The molecular formula of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine is C22H17N3O2S2.
What is the molecular weight of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine?
The molecular weight of N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine is 419.08 g/mol.
Where can I buy N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine?
You can request a quote for N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(4-nitrophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.