![2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole structure](/static/products/3392/339220-39-2.webp)
2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole
TL;DR: 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole (CAS 339220-39-2) is a chemical compound with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-3-nitrophenyl)-1,3-benzothiazole
Also Known As: 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole, 2-(4-methyl-3-nitrophenyl)-1,3-benzothiazole, 2-(3-Nitro-4-methylphenyl)benzothiazole, 2-(4-methyl-3-nitrophenyl)benzothiazole, 2-(4-methyl-3-nitro-phenyl)benzothiazole
| Molecular Formula | C14H10N2O2S |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.0463 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 339220-39-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
| InChIKey | QZVRMRGLSGKAQI-UHFFFAOYSA-N |
Product Overview
2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole (CAS 339220-39-2), with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol. IUPAC: 2-(4-methyl-3-nitrophenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole
Property Insights of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole
The XLogP value of 4.5 indicates that 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole. Following Lipinski's Rule of Five, 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole has 0 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 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole?
The CAS number of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole is 339220-39-2.
What is the molecular formula of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole?
The molecular formula of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole is C14H10N2O2S.
What is the molecular weight of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole?
The molecular weight of 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole is 270.05 g/mol.
Where can I buy 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole?
You can request a quote for 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-3-nitrophenyl)benzo[d]thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.