![(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate structure](/static/products/374/374091-74-4.png)
(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate
TL;DR: (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate (CAS 374091-74-4) is a chemical compound with molecular formula C23H15BrO3S and molecular weight 449.99 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-bromobenzoate
Also Known As: (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate, [4-methyl-2-[(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 3-bromobenzoate, [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-bromobenzoate, 4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3-bromobenzoate
| Molecular Formula | C23H15BrO3S |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 6.30622 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.99252 |
| Heavy Atoms | 28 |
| Complexity | 1134.1963 |
Chemical Identifiers
| CAS Number | 374091-74-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)/C=C\3/C(=O)C4=CC=CC=C4S3 |
Product Overview
(Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate (CAS 374091-74-4), with molecular formula C23H15BrO3S and molecular weight 449.99 g/mol. IUPAC: [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate
Property Insights of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate
The XLogP value of 6.30622 indicates that (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate 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 3-bromobenzoate 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 3-bromobenzoate 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 3-bromobenzoate?
The CAS number of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate is 374091-74-4.
What is the molecular formula of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate?
The molecular formula of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate is C23H15BrO3S.
What is the molecular weight of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate?
The molecular weight of (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate is 449.99 g/mol.
Where can I buy (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate?
You can request a quote for (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate 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 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.