3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline
TL;DR: 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline (CAS 886496-02-2) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]aniline
Also Known As: 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline, 3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]aniline, 3-[4-(4-Methyl-3-nitro-phenyl)-thiazol-2-yl]-phenylamine, 3-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]aniline, 3-[4-(4-Methyl-3-nitrophenyl)thiazol-2-yl]phenylamine
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.27592 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 858.1022 |
Chemical Identifiers
| CAS Number | 886496-02-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC(=N2)C3=CC(=CC=C3)N)[N+](=O)[O-] |
Product Overview
3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline (CAS 886496-02-2), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]aniline.
Chemical Property Profile of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline
Property Insights of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline
The XLogP value of 4.27592 indicates that 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline. Following Lipinski's Rule of Five, 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline 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
Frequently Asked Questions
What is the CAS number of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline?
The CAS number of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline is 886496-02-2.
What is the molecular formula of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline?
The molecular formula of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline is C16H13N3O2S.
What is the molecular weight of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline?
The molecular weight of 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline is 311.07 g/mol.
Where can I buy 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline?
You can request a quote for 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-Methyl-3-nitrophenyl)thiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.