![2-(2-Benzo[d]thiazolyl)-4-nitrophenol structure](/static/products/6276/6276-77-3.webp)
2-(2-Benzo[d]thiazolyl)-4-nitrophenol
TL;DR: 2-(2-Benzo[d]thiazolyl)-4-nitrophenol (CAS 6276-77-3) is a chemical compound with molecular formula C13H8N2O3S and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-nitrophenol
Also Known As: NIOSH/SJ7363000, 2-(2-benzo[d]thiazolyl)-4-nitrophenol, 2-(1,3-benzothiazol-2-yl)-4-nitrophenol, Phenol, 2-(2-benzothiazolyl)-4-nitro-, 2-(Benzothiazole-2-yl)-4-nitrophenol
| Molecular Formula | C13H8N2O3S |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.02557 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 6276-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)[N+](=O)[O-])O |
| InChIKey | NJTASTNGXOTNOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Benzo[d]thiazolyl)-4-nitrophenol (CAS 6276-77-3), with molecular formula C13H8N2O3S and molecular weight 272.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-nitrophenol.
Chemical Property Profile of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol
Property Insights of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol
The XLogP value of 3.5 indicates that 2-(2-Benzo[d]thiazolyl)-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Benzo[d]thiazolyl)-4-nitrophenol. Following Lipinski's Rule of Five, 2-(2-Benzo[d]thiazolyl)-4-nitrophenol 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 2-(2-Benzo[d]thiazolyl)-4-nitrophenol?
The CAS number of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol is 6276-77-3.
What is the molecular formula of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol?
The molecular formula of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol is C13H8N2O3S.
What is the molecular weight of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol?
The molecular weight of 2-(2-Benzo[d]thiazolyl)-4-nitrophenol is 272.03 g/mol.
Where can I buy 2-(2-Benzo[d]thiazolyl)-4-nitrophenol?
You can request a quote for 2-(2-Benzo[d]thiazolyl)-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzo[d]thiazolyl)-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzo[d]thiazolyl)-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.