2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole
TL;DR: 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole (CAS 260443-93-4) is a chemical compound with molecular formula C14H10F2N2S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylaniline
Also Known As: NCI60_039162, 4-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylaniline, 2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole, J1.233.530J, Benzenamine, 4-(5,6-difluoro-2-benzothiazolyl)-2-methyl-
| Molecular Formula | C14H10F2N2S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.05328 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 260443-93-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC3=CC(=C(C=C3S2)F)F)N |
| InChIKey | OFVYPGBTHKOFPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole (CAS 260443-93-4), with molecular formula C14H10F2N2S and molecular weight 276.05 g/mol. IUPAC: 4-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylaniline.
Chemical Property Profile of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole
Property Insights of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole
The XLogP value of 3.9 indicates that 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole 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-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole. Following Lipinski's Rule of Five, 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole has 1 hydrogen bond donor(s) and 5 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-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole?
The CAS number of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole is 260443-93-4.
What is the molecular formula of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole?
The molecular formula of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole is C14H10F2N2S.
What is the molecular weight of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole?
The molecular weight of 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole is 276.05 g/mol.
Where can I buy 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole?
You can request a quote for 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino-3-methylphenyl)-5,6-difluorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.