2-(1,3-Benzothiazol-2-yl)-4-bromoaniline
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline (CAS 314045-73-3) 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.
2-(1,3-benzothiazol-2-yl)-4-bromoaniline
Also Known As: 2-(Benzo[d]thiazol-2-yl)-4-bromoaniline, IFLab1_000200, IDI1_008419, 2-(1,3-benzothiazol-2-yl)-4-bromoaniline
| 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 | 314045-73-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Br)N |
| InChIKey | FJRPIQYCIRTCEU-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4-bromoaniline (CAS 314045-73-3), with molecular formula C13H9BrN2S and molecular weight 303.97 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-bromoaniline.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline
The XLogP value of 4.3 indicates that 2-(1,3-Benzothiazol-2-yl)-4-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 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4-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 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline is 314045-73-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline is C13H9BrN2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline is 303.97 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.