![2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone structure](/static/products/6077/6077-81-2.webp)
2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone
TL;DR: 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone (CAS 6077-81-2) is a chemical compound with molecular formula C18H14ClFN2OS and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone
Also Known As: 1-[5-(Trimethylsilyl)-2-thienyl]ethanone, BIM-0004257.P001, 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone, 2-[5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone, 2-{5-[(3-chlorophenyl)methyl]-2-imino(1,3-thiazolin-3-yl)}-1-(4-fluorophenyl)e than-1-one
| Molecular Formula | C18H14ClFN2OS |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 4.29527 |
| Topological Polar Surface Area | 45.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.04993 |
| Heavy Atoms | 24 |
| Complexity | 930.69183 |
Chemical Identifiers
| CAS Number | 6077-81-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CC2=CN(C(=N)S2)CC(=O)C3=CC=C(C=C3)F |
Product Overview
2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone (CAS 6077-81-2), with molecular formula C18H14ClFN2OS and molecular weight 360.05 g/mol. IUPAC: 2-[5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazol-3-yl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone
Property Insights of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone
The XLogP value of 4.29527 indicates that 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.85 Ų, 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone has 1 hydrogen bond donor(s) and 3 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-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone?
The CAS number of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone is 6077-81-2.
What is the molecular formula of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone is C18H14ClFN2OS.
What is the molecular weight of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone is 360.05 g/mol.
Where can I buy 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-chlorobenzyl)-2-imino-1,3-thiazol-3(2H)-yl]-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.