![3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide structure](/static/products/444/444930-41-0.png)
3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide (CAS 444930-41-0) is a chemical compound with molecular formula C26H22ClFN2O3S and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide, 3-chloro-6-ethyl-N'-{3-[(4-fluorophenoxy)methyl]-4-methoxybenzylidene}-1-benzothiophene-2-carbohydrazide, 3-chloro-6-ethyl-N'-[(E)-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-1-benzothiophene-2-carbohydrazide, N-((1E)-2-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-azavinyl)(3-chloro-6 -ethylbenzo[b]thiophen-2-yl)carboxamide
| Molecular Formula | C26H22ClFN2O3S |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 6.6077 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.10236 |
| Heavy Atoms | 34 |
| Complexity | 1352.4221 |
Chemical Identifiers
| CAS Number | 444930-41-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C(=C(S2)C(=O)N/N=C/C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)F)Cl |
Product Overview
3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide (CAS 444930-41-0), with molecular formula C26H22ClFN2O3S and molecular weight 496.10 g/mol. IUPAC: 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide
The XLogP value of 6.6077 indicates that 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide has 1 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-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide is 444930-41-0.
What is the molecular formula of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide is C26H22ClFN2O3S.
What is the molecular weight of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide is 496.10 g/mol.
Where can I buy 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-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-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-ethyl-N-[(E)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.