![(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate structure](/static/products/3729/372976-56-2.webp)
(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate
TL;DR: (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate (CAS 372976-56-2) is a chemical compound with molecular formula C23H16O3S and molecular weight 372.08 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] benzoate
Also Known As: (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate, [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] benzoate, 4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl benzoate
| Molecular Formula | C23H16O3S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 5.54372 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.082 |
| Heavy Atoms | 27 |
| Complexity | 1067.9913 |
Chemical Identifiers
| CAS Number | 372976-56-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)/C=C\3/C(=O)C4=CC=CC=C4S3 |
Product Overview
(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate (CAS 372976-56-2), with molecular formula C23H16O3S and molecular weight 372.08 g/mol. IUPAC: [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] benzoate.
Chemical Property Profile of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate
Property Insights of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate
The XLogP value of 5.54372 indicates that (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate 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 (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate?
The CAS number of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate is 372976-56-2.
What is the molecular formula of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate?
The molecular formula of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate is C23H16O3S.
What is the molecular weight of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate?
The molecular weight of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate is 372.08 g/mol.
Where can I buy (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate?
You can request a quote for (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.