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N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline
TL;DR: N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline (CAS 646996-01-2) is a chemical compound with molecular formula C19H13N5O2S and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline
Also Known As: N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline, Propanoic acid,2,2-dimethyl-,3-chloro-1-propenyl ester, 3-(3,3-diphenyltriaz-1-en-1-yl)-5-nitro-2,1-benzothiazole, 2,1-Benzisothiazole, 3-[(1E)-3,3-diphenyl-1-triazenyl]-5-nitro-, N-[(3-nitro-8-thia-7-azabicyclo[4.3.0]nona-2,4,6,9-tetraen-9-yl)diazenyl]-N-phenyl-aniline
| Molecular Formula | C19H13N5O2S |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 6.0415 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.079 |
| Heavy Atoms | 27 |
| Complexity | 1073.38 |
Chemical Identifiers
| CAS Number | 646996-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)N=NC3=C4C=C(C=CC4=NS3)[N+](=O)[O-] |
Product Overview
N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline (CAS 646996-01-2), with molecular formula C19H13N5O2S and molecular weight 375.08 g/mol. IUPAC: N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline.
Chemical Property Profile of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline
Property Insights of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline
The XLogP value of 6.0415 indicates that N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline. Following Lipinski's Rule of Five, N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline 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-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline?
The CAS number of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline is 646996-01-2.
What is the molecular formula of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline?
The molecular formula of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline is C19H13N5O2S.
What is the molecular weight of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline?
The molecular weight of N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline is 375.08 g/mol.
Where can I buy N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline?
You can request a quote for N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.