N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide
TL;DR: N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide (CAS 16586-60-0) is a chemical compound with molecular formula C20H14N6O2S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide
Also Known As: BAS 00121401, Phosphonic acid,(3-amino-4-methoxyphenyl), N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide, 5-(2-BENZOTHIAZOLYL)-1-(4-NITROPHENYL)-3-PHENYLFORMAZAN, (E,E)-5-(benzo[d]thiazol-2-yl)-1-(4-nitrophenyl)-3-phenylformazan
| Molecular Formula | C20H14N6O2S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 5.7621 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0899 |
| Heavy Atoms | 29 |
| Complexity | 1169.6235 |
Chemical Identifiers
| CAS Number | 16586-60-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=NC4=CC=CC=C4S3 |
Product Overview
N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide (CAS 16586-60-0), with molecular formula C20H14N6O2S and molecular weight 402.09 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide
Property Insights of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide
The XLogP value of 5.7621 indicates that N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide?
The CAS number of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide is 16586-60-0.
What is the molecular formula of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide?
The molecular formula of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide is C20H14N6O2S.
What is the molecular weight of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide?
The molecular weight of N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide is 402.09 g/mol.
Where can I buy N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide?
You can request a quote for N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)benzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.