![3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline structure](/static/products/860/860788-99-4.png)
3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline
TL;DR: 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline (CAS 860788-99-4) is a chemical compound with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanimine
Also Known As: 1W-0049, 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline, N-(3-nitrophenyl)-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanimine, (1E)-N-(3-nitrophenyl)-1-[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methanimine
| Molecular Formula | C14H14N4O2S |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 3.4021 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.08374 |
| Heavy Atoms | 21 |
| Complexity | 677.11847 |
Chemical Identifiers
| CAS Number | 860788-99-4 |
|---|---|
| SMILES | C1CCN(C1)C2=NC=C(S2)C=NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline (CAS 860788-99-4), with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol. IUPAC: N-(3-nitrophenyl)-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanimine.
Chemical Property Profile of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline
Property Insights of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline
The XLogP value of 3.4021 indicates that 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline. Following Lipinski's Rule of Five, 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline has 0 hydrogen bond donor(s) and 6 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 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline?
The CAS number of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline is 860788-99-4.
What is the molecular formula of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline?
The molecular formula of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline is C14H14N4O2S.
What is the molecular weight of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline?
The molecular weight of 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline is 302.08 g/mol.
Where can I buy 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline?
You can request a quote for 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-{(E)-[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methylidene}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.