![3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate structure](/static/products/5540/5540-19-2.webp)
3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 5540-19-2) is a chemical compound with molecular formula C26H16ClNO2S and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(naphthalen-1-yliminomethyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate, [3-(naphthalen-1-yliminomethyl)phenyl] 3-chlorobenzothiophene-2-carboxylate, [3-(naphthalen-1-yliminomethyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C26H16ClNO2S |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 7.6777 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.05902 |
| Heavy Atoms | 31 |
| Complexity | 1449.3445 |
Chemical Identifiers
| CAS Number | 5540-19-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N=CC3=CC(=CC=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl |
Product Overview
3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 5540-19-2), with molecular formula C26H16ClNO2S and molecular weight 441.06 g/mol. IUPAC: [3-(naphthalen-1-yliminomethyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 7.6777 indicates that 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate is 5540-19-2.
What is the molecular formula of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate is C26H16ClNO2S.
What is the molecular weight of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate is 441.06 g/mol.
Where can I buy 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-{(E)-[(Naphthalen-1-yl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.