![N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide structure](/static/products/5315/531518-41-9.webp)
N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
TL;DR: N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide (CAS 531518-41-9) is a chemical compound with molecular formula C22H17FN2OS2 and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide
Also Known As: N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide, N-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide, N-(2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-1,3-BENZOTHIAZOL-6-YL)-2-METHYLBENZAMIDE
| Molecular Formula | C22H17FN2OS2 |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 6.28842 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.07663 |
| Heavy Atoms | 28 |
| Complexity | 1156.208 |
Chemical Identifiers
| CAS Number | 531518-41-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4F |
Product Overview
N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide (CAS 531518-41-9), with molecular formula C22H17FN2OS2 and molecular weight 408.08 g/mol. IUPAC: N-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide.
Chemical Property Profile of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
Property Insights of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
The XLogP value of 6.28842 indicates that N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide?
The CAS number of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide is 531518-41-9.
What is the molecular formula of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide?
The molecular formula of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide is C22H17FN2OS2.
What is the molecular weight of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide?
The molecular weight of N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide is 408.08 g/mol.
Where can I buy N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide?
You can request a quote for N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(2-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.