Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-
TL;DR: Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- (CAS 343975-63-3) is a chemical compound with molecular formula C13H9FN2S and molecular weight 244.05 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-fluoroaniline
Also Known As: 4-(1,3-benzothiazol-2-yl)-2-fluoroaniline, Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-, NCI60_037039, 2-amino-9-undecyl-1,9-dihydro-purin-6-one
| Molecular Formula | C13H9FN2S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.04704 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 343975-63-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)F |
| InChIKey | YPMSJWNNIBRQDS-UHFFFAOYSA-N |
Product Overview
Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- (CAS 343975-63-3), with molecular formula C13H9FN2S and molecular weight 244.05 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-2-fluoroaniline.
Chemical Property Profile of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-
Property Insights of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-
The XLogP value of 3.7 indicates that Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- 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 Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-. Following Lipinski's Rule of Five, Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- has 1 hydrogen bond donor(s) and 4 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 Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-?
The CAS number of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- is 343975-63-3.
What is the molecular formula of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-?
The molecular formula of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- is C13H9FN2S.
What is the molecular weight of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-?
The molecular weight of Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- is 244.05 g/mol.
Where can I buy Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-?
You can request a quote for Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-(2-benzothiazolyl)-2-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.