2-Benzothiazolamine, 4-bromo-6-nitro-
TL;DR: 2-Benzothiazolamine, 4-bromo-6-nitro- (CAS 55911-06-3) is a chemical compound with molecular formula C7H4BrN3O2S and molecular weight 272.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-nitro-1,3-benzothiazol-2-amine
Also Known As: 2-Benzothiazolamine, 4-bromo-6-nitro-, 2-amino-4-bromo-6-nitrobenzothiazole, 4-bromo-6-nitro-1,3-benzothiazol-2-amine, 2-Amino-4-Bromo-6-Nitro Benzothiazole, Phenol,2-cyclopentyl-4-nitro
| Molecular Formula | C7H4BrN3O2S |
|---|---|
| Molecular Weight | 272.92 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.92075 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 55911-06-3 |
|---|---|
| SMILES | C1=C(C=C(C2=C1SC(=N2)N)Br)[N+](=O)[O-] |
| InChIKey | OMGJONBPODTMNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolamine, 4-bromo-6-nitro- (CAS 55911-06-3), with molecular formula C7H4BrN3O2S and molecular weight 272.92 g/mol. IUPAC: 4-bromo-6-nitro-1,3-benzothiazol-2-amine.
Chemical Property Profile of 2-Benzothiazolamine, 4-bromo-6-nitro-
Property Insights of 2-Benzothiazolamine, 4-bromo-6-nitro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolamine, 4-bromo-6-nitro-. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolamine, 4-bromo-6-nitro-. Following Lipinski's Rule of Five, 2-Benzothiazolamine, 4-bromo-6-nitro- 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-Benzothiazolamine, 4-bromo-6-nitro-?
The CAS number of 2-Benzothiazolamine, 4-bromo-6-nitro- is 55911-06-3.
What is the molecular formula of 2-Benzothiazolamine, 4-bromo-6-nitro-?
The molecular formula of 2-Benzothiazolamine, 4-bromo-6-nitro- is C7H4BrN3O2S.
What is the molecular weight of 2-Benzothiazolamine, 4-bromo-6-nitro-?
The molecular weight of 2-Benzothiazolamine, 4-bromo-6-nitro- is 272.92 g/mol.
Where can I buy 2-Benzothiazolamine, 4-bromo-6-nitro-?
You can request a quote for 2-Benzothiazolamine, 4-bromo-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolamine, 4-bromo-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolamine, 4-bromo-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.