Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-
TL;DR: Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- (CAS 128554-85-8) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-amine
Also Known As: Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-, 2-Nitro-N-(2-(1-pyrrolidinyl)ethyl)benzo(b)thiophen-3-amine, 2-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-amine, 2-NITRO-N-[2-(PYRROLIDIN-1-YL)ETHYL]-1-BENZOTHIOPHEN-3-AMINE, BRN 3559199
Technical Specifications
| Molecular Formula | C14H17N3O2S |
| Molecular Weight | 291.10416 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.10416 Da |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
| SMILES | C1CCN(C1)CCNC2=C(SC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | SJMSKMVNGCCFQW-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-
Property Insights of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-
The XLogP value of 4.2 indicates that Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-. Following Lipinski's Rule of Five, Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-?
The CAS number of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- is 128554-85-8.
What is the molecular formula of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-?
The molecular formula of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- is C14H17N3O2S.
What is the molecular weight of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-?
The molecular weight of Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- is 291.10416 g/mol.
Where can I buy Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-?
You can request a quote for Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.