Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-
TL;DR: Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- (CAS 260443-91-2) is a chemical compound with molecular formula C14H11FN2S and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
Also Known As: Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-, NCI60_039161, 4-(7-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline, J1.233.529F, 2-Methyl-4-(7-fluorobenzothiazole-2-yl)aniline
| Molecular Formula | C14H11FN2S |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.06268 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 260443-91-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)F)N |
| InChIKey | HNTKIXWEQUTXMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- (CAS 260443-91-2), with molecular formula C14H11FN2S and molecular weight 258.06 g/mol. IUPAC: 4-(7-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline.
Chemical Property Profile of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-
Property Insights of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-
The XLogP value of 3.8 indicates that Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- 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-(7-fluoro-2-benzothiazolyl)-2-methyl-. Following Lipinski's Rule of Five, Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- 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-(7-fluoro-2-benzothiazolyl)-2-methyl-?
The CAS number of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- is 260443-91-2.
What is the molecular formula of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-?
The molecular formula of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- is C14H11FN2S.
What is the molecular weight of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-?
The molecular weight of Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- is 258.06 g/mol.
Where can I buy Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-?
You can request a quote for Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-(7-fluoro-2-benzothiazolyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.