![4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate structure](/static/products/3314/331460-57-2.webp)
4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate
TL;DR: 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate (CAS 331460-57-2) is a chemical compound with molecular formula C19H15NO2S and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(thiophen-2-ylmethylideneamino)phenyl] 2-phenylacetate
Also Known As: TimTec1_002349, 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate, [4-(thiophen-2-ylmethylideneamino)phenyl] 2-phenylacetate, 4-((1E)-2-(2-thienyl)-1-azavinyl)phenyl 2-phenylacetate, 4-{[(E)-2-thienylmethylidene]amino}phenyl 2-phenylacetate
| Molecular Formula | C19H15NO2S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.08234 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 331460-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)N=CC3=CC=CS3 |
| InChIKey | JKKRSJFVZLWASV-UHFFFAOYSA-N |
Product Overview
4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate (CAS 331460-57-2), with molecular formula C19H15NO2S and molecular weight 321.08 g/mol. IUPAC: [4-(thiophen-2-ylmethylideneamino)phenyl] 2-phenylacetate.
Chemical Property Profile of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate
Property Insights of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate
The XLogP value of 4.6 indicates that 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate. Following Lipinski's Rule of Five, 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate has 0 hydrogen bond donor(s) and 4 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 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate?
The CAS number of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate is 331460-57-2.
What is the molecular formula of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate?
The molecular formula of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate is C19H15NO2S.
What is the molecular weight of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate?
The molecular weight of 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate is 321.08 g/mol.
Where can I buy 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate?
You can request a quote for 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-2-thienylmethylidene]amino}phenyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.