![3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide structure](/static/products/444/444926-56-1.png)
3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide (CAS 444926-56-1) is a chemical compound with molecular formula C25H19ClFN3O3S and molecular weight 495.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide, N-(3-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide, N-(3-{(1E)-2-[(3-chloro-6-fluorobenzo[b]thiophen-2-yl)carbonylamino]-1-methyl- 2-azavinyl}phenyl)-2-phenoxyacetamide, N-{3-[(1E)-1-{2-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenoxyacetamide
| Molecular Formula | C25H19ClFN3O3S |
|---|---|
| Molecular Weight | 495.08 g/mol |
| LogP | 5.8653 |
| Topological Polar Surface Area | 79.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.08197 |
| Heavy Atoms | 34 |
| Complexity | 1388.9471 |
Chemical Identifiers
| CAS Number | 444926-56-1 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)/C3=CC(=CC=C3)NC(=O)COC4=CC=CC=C4 |
Product Overview
3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide (CAS 444926-56-1), with molecular formula C25H19ClFN3O3S and molecular weight 495.08 g/mol. IUPAC: 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
The XLogP value of 5.8653 indicates that 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide is 444926-56-1.
What is the molecular formula of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide is C25H19ClFN3O3S.
What is the molecular weight of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide is 495.08 g/mol.
Where can I buy 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-fluoro-N-[(E)-1-[3-[(2-phenoxyacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.