![4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate structure](/static/products/374/374092-11-2.png)
4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate
TL;DR: 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate (CAS 374092-11-2) is a chemical compound with molecular formula C23H15ClO3S and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-chlorobenzoate
Also Known As: (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-chlorobenzoate, [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-chlorobenzoate, 4-methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate, 4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3-chlorobenzoate
| Molecular Formula | C23H15ClO3S |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 6.19712 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.04303 |
| Heavy Atoms | 28 |
| Complexity | 1134.1963 |
Chemical Identifiers
| CAS Number | 374092-11-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Cl)/C=C\3/C(=O)C4=CC=CC=C4S3 |
Product Overview
4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate (CAS 374092-11-2), with molecular formula C23H15ClO3S and molecular weight 406.04 g/mol. IUPAC: [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-chlorobenzoate.
Chemical Property Profile of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate
Property Insights of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate
The XLogP value of 6.19712 indicates that 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-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, 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-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 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate?
The CAS number of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate is 374092-11-2.
What is the molecular formula of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate?
The molecular formula of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate is C23H15ClO3S.
What is the molecular weight of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate?
The molecular weight of 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate is 406.04 g/mol.
Where can I buy 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate?
You can request a quote for 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.