2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole
TL;DR: 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole (CAS 247080-48-4) 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-(3-methyl-4-nitrophenyl)-1,3-benzothiazole
Also Known As: 2-(3-methyl-4-nitrophenyl)-1,3-benzothiazole, 2-(3-methyl-4-nitrophenyl)benzothiazole, J2.504.234D
| Molecular Formula | C14H10N2O2S |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 4.17992 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0463 |
| Heavy Atoms | 19 |
| Complexity | 746.9669 |
Chemical Identifiers
| CAS Number | 247080-48-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
Product Overview
2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole (CAS 247080-48-4), with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol. IUPAC: 2-(3-methyl-4-nitrophenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole
Property Insights of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole
The XLogP value of 4.17992 indicates that 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole 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-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole?
The CAS number of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole is 247080-48-4.
What is the molecular formula of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole?
The molecular formula of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole is C14H10N2O2S.
What is the molecular weight of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole?
The molecular weight of 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole is 270.05 g/mol.
Where can I buy 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole?
You can request a quote for 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-4-nitrophenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.