![(Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate structure](/static/products/847/847781-92-4.png)
(Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate
TL;DR: (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate (CAS 847781-92-4) is a chemical compound with molecular formula C20H17NO4S and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-propanoylamino]benzoate
Also Known As: (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate, methyl 4-[[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-propanoylamino]benzoate, methyl 4-{[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl](propanoyl)amino}benzoate
| Molecular Formula | C20H17NO4S |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 4.0462 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.08783 |
| Heavy Atoms | 26 |
| Complexity | 902.2821 |
Chemical Identifiers
| CAS Number | 847781-92-4 |
|---|---|
| SMILES | CCC(=O)N(/C=C\1/C(=O)C2=CC=CC=C2S1)C3=CC=C(C=C3)C(=O)OC |
Product Overview
(Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate (CAS 847781-92-4), with molecular formula C20H17NO4S and molecular weight 367.09 g/mol. IUPAC: methyl 4-[[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-propanoylamino]benzoate.
Chemical Property Profile of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate
Property Insights of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate
The XLogP value of 4.0462 indicates that (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate?
The CAS number of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate is 847781-92-4.
What is the molecular formula of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate?
The molecular formula of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate is C20H17NO4S.
What is the molecular weight of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate?
The molecular weight of (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate is 367.09 g/mol.
Where can I buy (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate?
You can request a quote for (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)propionamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.