N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine
TL;DR: N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine (CAS 294667-87-1) 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-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine
Also Known As: N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine, BAS 00471102, (2-Nitro-benzo[b]thiophen-3-yl)-o-tolyl-amine, (2-methylphenyl)(2-nitro-1-benzothien-3-yl)amine, 1-benzyl-1h-pyrrole-2,5-dione-(ethenyloxy)ethene(1:1)
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 4.86152 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 795.4228 |
Chemical Identifiers
| CAS Number | 294667-87-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=C(SC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine (CAS 294667-87-1), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine.
Chemical Property Profile of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine
Property Insights of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine
The XLogP value of 4.86152 indicates that N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine has 1 hydrogen bond donor(s) and 4 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 N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine?
The CAS number of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine is 294667-87-1.
What is the molecular formula of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine?
The molecular formula of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine is C15H12N2O2S.
What is the molecular weight of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine?
The molecular weight of N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine is 284.06 g/mol.
Where can I buy N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine?
You can request a quote for N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylphenyl)-2-nitro-1-benzothiophen-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.