![Methyl 4-[(2-thienylmethylene)amino]benzoate structure](/static/products/328/328024-74-4.png)
Methyl 4-[(2-thienylmethylene)amino]benzoate
TL;DR: Methyl 4-[(2-thienylmethylene)amino]benzoate (CAS 328024-74-4) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(thiophen-2-ylmethylideneamino)benzoate
Also Known As: methyl 4-[(2-thienylmethylene)amino]benzoate, methyl 4-(thiophen-2-ylmethylideneamino)benzoate, methyl 4-((1E)-2-(2-thienyl)-1-azavinyl)benzoate, methyl 4-{[(E)-thiophen-2-ylmethylidene]amino}benzoate, 4-[(Thiophen-2-ylmethylene)-amino]-benzoic acid methyl ester
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 328024-74-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=CC=CS2 |
| InChIKey | GJOVIKHZUABMQE-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(2-thienylmethylene)amino]benzoate (CAS 328024-74-4), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: methyl 4-(thiophen-2-ylmethylideneamino)benzoate.
Chemical Property Profile of Methyl 4-[(2-thienylmethylene)amino]benzoate
Property Insights of Methyl 4-[(2-thienylmethylene)amino]benzoate
The XLogP value of 3.1 indicates that Methyl 4-[(2-thienylmethylene)amino]benzoate 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 Methyl 4-[(2-thienylmethylene)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(2-thienylmethylene)amino]benzoate 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 Methyl 4-[(2-thienylmethylene)amino]benzoate?
The CAS number of Methyl 4-[(2-thienylmethylene)amino]benzoate is 328024-74-4.
What is the molecular formula of Methyl 4-[(2-thienylmethylene)amino]benzoate?
The molecular formula of Methyl 4-[(2-thienylmethylene)amino]benzoate is C13H11NO2S.
What is the molecular weight of Methyl 4-[(2-thienylmethylene)amino]benzoate?
The molecular weight of Methyl 4-[(2-thienylmethylene)amino]benzoate is 245.05 g/mol.
Where can I buy Methyl 4-[(2-thienylmethylene)amino]benzoate?
You can request a quote for Methyl 4-[(2-thienylmethylene)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2-thienylmethylene)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2-thienylmethylene)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.