![(NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine structure](/static/products/304/304459-52-7.png)
(NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
TL;DR: (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CAS 304459-52-7) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine
Also Known As: BIM-0023536.P001, (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine, AB01227541-03, 1-(4-Nitrophenyl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)methanimine, (E)-1-(4-NITROPHENYL)-N-(4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)METHANIMINE
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 3.6807 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 638.0586 |
Chemical Identifiers
| CAS Number | 304459-52-7 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CAS 304459-52-7), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: (E)-1-(4-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine.
Chemical Property Profile of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Property Insights of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
The XLogP value of 3.6807 indicates that (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine 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 (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has 0 hydrogen bond donor(s) and 5 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 (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The CAS number of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is 304459-52-7.
What is the molecular formula of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The molecular formula of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is C14H13N3O2S.
What is the molecular weight of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The molecular weight of (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is 287.07 g/mol.
Where can I buy (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
You can request a quote for (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for (NE)-N-[(4-Nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.