2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
TL;DR: 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline (CAS 178804-07-4) is a chemical compound with molecular formula C14H11BrN2S and molecular weight 317.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Also Known As: 2-bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline, NCI60_029437, 2-Bromo-4-(6-methylbenzothiazol-2-yl)aniline, 2-Bromo-4-(6-methyl-2-benzothiazolyl)benzenamine, 2-(4'-amino-3'-bromophenyl)-6-methylbenzothiazole
| Molecular Formula | C14H11BrN2S |
|---|---|
| Molecular Weight | 317.98 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.98264 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 178804-07-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)Br |
| InChIKey | WCISMKQERHOLSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline (CAS 178804-07-4), with molecular formula C14H11BrN2S and molecular weight 317.98 g/mol. IUPAC: 2-bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.
Chemical Property Profile of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Property Insights of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
The XLogP value of 4.4 indicates that 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline 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 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline. Following Lipinski's Rule of Five, 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline 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 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The CAS number of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline is 178804-07-4.
What is the molecular formula of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The molecular formula of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline is C14H11BrN2S.
What is the molecular weight of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The molecular weight of 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline is 317.98 g/mol.
Where can I buy 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
You can request a quote for 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-(6-methyl-1,3-benzothiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.