![[4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate structure](/static/products/3314/331460-63-0.webp)
[4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate
TL;DR: [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate (CAS 331460-63-0) 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-yliminomethyl)phenyl] 4-methylbenzoate
Also Known As: TimTec1_002393, [4-(thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate, 4-[(2-thienylimino)methyl]phenyl 4-methylbenzenecarboxylate, 4-[(1E)-[(thiophen-2-yl)imino]methyl]phenyl 4-methylbenzoate
| Molecular Formula | C19H15NO2S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.08234 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 331460-63-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=CS3 |
| InChIKey | WIDLHTQWNGNLRN-UHFFFAOYSA-N |
Product Overview
[4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate (CAS 331460-63-0), with molecular formula C19H15NO2S and molecular weight 321.08 g/mol. IUPAC: [4-(thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate.
Chemical Property Profile of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate
Property Insights of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate
The XLogP value of 5.0 indicates that [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate 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-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate. Following Lipinski's Rule of Five, [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate 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-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate?
The CAS number of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate is 331460-63-0.
What is the molecular formula of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate?
The molecular formula of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate is C19H15NO2S.
What is the molecular weight of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate?
The molecular weight of [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate is 321.08 g/mol.
Where can I buy [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate?
You can request a quote for [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(Thiophen-2-yliminomethyl)phenyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.