![N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide structure](/static/products/444/444931-98-0.png)
N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
TL;DR: N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide (CAS 444931-98-0) is a chemical compound with molecular formula C26H22ClN3O3S and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
Also Known As: N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide, N-{4-[N-(1-benzothien-3-ylcarbonyl)ethanehydrazonoyl]phenyl}-2-(4-chloro-2-methylphenoxy)acetamide, N-(4-{(1E)-1-[2-(1-benzothiophen-3-ylcarbonyl)hydrazinylidene]ethyl}phenyl)-2-(4-chloro-2-methylphenoxy)acetamide, N-{4-[(1E)-2-(benzo[b]thiophen-3-ylcarbonylamino)-1-methyl-2-azavinyl]phenyl}- 2-(4-chloro-2-methylphenoxy)acetamide
| Molecular Formula | C26H22ClN3O3S |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 6.03462 |
| Topological Polar Surface Area | 79.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.10703 |
| Heavy Atoms | 34 |
| Complexity | 1379.8322 |
Chemical Identifiers
| CAS Number | 444931-98-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)/C(=N/NC(=O)C3=CSC4=CC=CC=C43)/C |
Product Overview
N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide (CAS 444931-98-0), with molecular formula C26H22ClN3O3S and molecular weight 491.11 g/mol. IUPAC: N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
Property Insights of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
The XLogP value of 6.03462 indicates that N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-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 N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-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 N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
The CAS number of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide is 444931-98-0.
What is the molecular formula of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
The molecular formula of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide is C26H22ClN3O3S.
What is the molecular weight of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
The molecular weight of N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide is 491.11 g/mol.
Where can I buy N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
You can request a quote for N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-1-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.