4-(1,3-Benzothiazol-2-yl)-2-bromoaniline
TL;DR: 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline (CAS 178804-06-3) is a chemical compound with molecular formula C13H9BrN2S and molecular weight 303.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-2-bromoaniline
Also Known As: 4-(benzo[d]thiazol-2-yl)-2-bromoaniline, 6-methylquinazolin-4-ol, 4-(1,3-benzothiazol-2-yl)-2-bromoaniline, 2-Bromo-4-(benzothiazol-2-yl)aniline, 2-(3-Bromo-4-aminophenyl)benzothiazole
| Molecular Formula | C13H9BrN2S |
|---|---|
| Molecular Weight | 303.97 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.96698 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 178804-06-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Br |
| InChIKey | PZNQWLHSPUPLEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,3-Benzothiazol-2-yl)-2-bromoaniline (CAS 178804-06-3), with molecular formula C13H9BrN2S and molecular weight 303.97 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-2-bromoaniline.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline
Property Insights of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline
The XLogP value of 4.3 indicates that 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline has 1 hydrogen bond donor(s) and 3 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 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline?
The CAS number of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline is 178804-06-3.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline is C13H9BrN2S.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline is 303.97 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)-2-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.