N-benzyl-3-nitrothiophen-2-amine
TL;DR: N-benzyl-3-nitrothiophen-2-amine (CAS 186808-45-7) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-nitrothiophen-2-amine
Also Known As: N-benzyl-3-nitrothiophen-2-amine, Maybridge1_004886, N-Benzyl-N-(3-nitrothien-2-yl)amine, Benzyl-(3-nitro-thiophen-2-yl)-amine
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 3.2684 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 481.7396 |
Chemical Identifiers
| CAS Number | 186808-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=CS2)[N+](=O)[O-] |
Product Overview
N-benzyl-3-nitrothiophen-2-amine (CAS 186808-45-7), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: N-benzyl-3-nitrothiophen-2-amine.
Chemical Property Profile of N-benzyl-3-nitrothiophen-2-amine
Property Insights of N-benzyl-3-nitrothiophen-2-amine
The XLogP value of 3.2684 indicates that N-benzyl-3-nitrothiophen-2-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-benzyl-3-nitrothiophen-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-nitrothiophen-2-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-benzyl-3-nitrothiophen-2-amine?
The CAS number of N-benzyl-3-nitrothiophen-2-amine is 186808-45-7.
What is the molecular formula of N-benzyl-3-nitrothiophen-2-amine?
The molecular formula of N-benzyl-3-nitrothiophen-2-amine is C11H10N2O2S.
What is the molecular weight of N-benzyl-3-nitrothiophen-2-amine?
The molecular weight of N-benzyl-3-nitrothiophen-2-amine is 234.05 g/mol.
Where can I buy N-benzyl-3-nitrothiophen-2-amine?
You can request a quote for N-benzyl-3-nitrothiophen-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-nitrothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-nitrothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.