2-(Fluoromethyl)-6-nitro-1,3-benzothiazole
TL;DR: 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole (CAS 20897-48-7) is a chemical compound with molecular formula C8H5FN2O2S and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(fluoromethyl)-6-nitro-1,3-benzothiazole
Also Known As: Benzothiazole,2- -6-nitro-, 2-(fluoromethyl)-6-nitro-1,3-benzothiazole, 2-(fluoromethyl)-6-nitrobenzo[d]thiazole, BENZOTHIAZOLE, 2-(FLUOROMETHYL)-6-NITRO-
| Molecular Formula | C8H5FN2O2S |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 2.674 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.00557 |
| Heavy Atoms | 14 |
| Complexity | 497.04697 |
Chemical Identifiers
| CAS Number | 20897-48-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)CF |
Product Overview
2-(Fluoromethyl)-6-nitro-1,3-benzothiazole (CAS 20897-48-7), with molecular formula C8H5FN2O2S and molecular weight 212.01 g/mol. IUPAC: 2-(fluoromethyl)-6-nitro-1,3-benzothiazole.
Chemical Property Profile of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole
Property Insights of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole
The XLogP value of 2.674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole. With a topological polar surface area (TPSA) of 56.03 Ų, 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole has 0 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 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole?
The CAS number of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole is 20897-48-7.
What is the molecular formula of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole?
The molecular formula of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole is C8H5FN2O2S.
What is the molecular weight of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole?
The molecular weight of 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole is 212.01 g/mol.
Where can I buy 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole?
You can request a quote for 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Fluoromethyl)-6-nitro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.