![methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate structure](/static/products/861/861211-03-2.png)
methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate
TL;DR: methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate (CAS 861211-03-2) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitrobenzoate
Also Known As: methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate, methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzoate, methyl 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitrobenzoate, methyl 3-nitro-4-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]benzoate, Methyl 4-[[2-[2-(4-methylphenyl)-4-thiazolyl]ethyl]amino]-3-nitrobenzoate
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 4.46792 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 998.9403 |
Chemical Identifiers
| CAS Number | 861211-03-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate (CAS 861211-03-2), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: methyl 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitrobenzoate.
Chemical Property Profile of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate
Property Insights of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate
The XLogP value of 4.46792 indicates that methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate?
The CAS number of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate is 861211-03-2.
What is the molecular formula of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate?
The molecular formula of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate is C20H19N3O4S.
What is the molecular weight of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate?
The molecular weight of methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate is 397.11 g/mol.
Where can I buy methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate?
You can request a quote for methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}amino)-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.