Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-
TL;DR: Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- (CAS 172914-28-2) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-nitro-1-benzothiophen-3-amine
Also Known As: N-(3-Methylphenyl)-2-nitrobenzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-1-benzothiophen-3-amine, Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-, N-(3-METHYLPHENYL)-2-NITROBENZO[B]THIOPHEN-3-AMINE, N-(3-Methylphenyl)-2-nitro-1-benzothiophene-3-amine
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 172914-28-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(SC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | VZUHXOLMSVZQSH-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- (CAS 172914-28-2), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: N-(3-methylphenyl)-2-nitro-1-benzothiophen-3-amine.
Chemical Property Profile of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-
Property Insights of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-
The XLogP value of 5.6 indicates that Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-. Following Lipinski's Rule of Five, Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-?
The CAS number of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- is 172914-28-2.
What is the molecular formula of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-?
The molecular formula of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- is C15H12N2O2S.
What is the molecular weight of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-?
The molecular weight of Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- is 284.06 g/mol.
Where can I buy Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-?
You can request a quote for Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophen-3-amine, N-(3-methylphenyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.