![N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/444/444927-46-2.png)
N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 444927-46-2) is a chemical compound with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N'-({5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}methylene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide, N'-[(E)-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide, N-((1E)-2-{5-[(4-chloro-3-methylphenoxy)methyl](2-furyl)}-1-azavinyl)-4,5,6,7- tetrahydrobenzo[b]thiophen-3-ylcarboxamide
| Molecular Formula | C22H21ClN2O3S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 5.52462 |
| Topological Polar Surface Area | 63.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.09613 |
| Heavy Atoms | 29 |
| Complexity | 1054.2622 |
Chemical Identifiers
| CAS Number | 444927-46-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=C(O2)/C=N/NC(=O)C3=CSC4=C3CCCC4)Cl |
Product Overview
N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 444927-46-2), with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol. IUPAC: N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 5.52462 indicates that N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-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 N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 444927-46-2.
What is the molecular formula of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C22H21ClN2O3S.
What is the molecular weight of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 428.10 g/mol.
Where can I buy N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-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)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.