![2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate structure](/static/products/634/634593-55-8.png)
2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate
TL;DR: 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate (CAS 634593-55-8) is a chemical compound with molecular formula C22H13ClO3S and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chlorobenzoate
Also Known As: [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chlorobenzoate|(E)-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 2-chlorobenzoate|2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate
| Molecular Formula | C22H13ClO3S |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 5.8887 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.0274 |
| Heavy Atoms | 27 |
| Complexity | 1088.1758 |
Chemical Identifiers
| CAS Number | 634593-55-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4Cl |
Product Overview
2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate (CAS 634593-55-8), with molecular formula C22H13ClO3S and molecular weight 392.03 g/mol. IUPAC: [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate
Property Insights of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate
The XLogP value of 5.8887 indicates that 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate 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 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate?
The CAS number of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate is 634593-55-8.
What is the molecular formula of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate?
The molecular formula of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate is C22H13ClO3S.
What is the molecular weight of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate?
The molecular weight of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate is 392.03 g/mol.
Where can I buy 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate?
You can request a quote for 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.