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Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate
TL;DR: Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate (CAS 477845-54-8) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-pyridin-4-ylethylideneamino)thiophene-2-carboxylate
Also Known As: methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate, 10M-710, methyl 3-(1-pyridin-4-ylethylideneamino)thiophene-2-carboxylate, methyl 3-[(E)-[1-(pyridin-4-yl)ethylidene]amino]thiophene-2-carboxylate
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.0704 |
| Topological Polar Surface Area | 51.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 575.687 |
Chemical Identifiers
| CAS Number | 477845-54-8 |
|---|---|
| SMILES | CC(=NC1=C(SC=C1)C(=O)OC)C2=CC=NC=C2 |
Product Overview
Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate (CAS 477845-54-8), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: methyl 3-(1-pyridin-4-ylethylideneamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate
Property Insights of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate
The XLogP value of 3.0704 indicates that Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.55 Ų, Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate 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 Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate?
The CAS number of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate is 477845-54-8.
What is the molecular formula of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate?
The molecular formula of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate is C13H12N2O2S.
What is the molecular weight of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate?
The molecular weight of Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate is 260.06 g/mol.
Where can I buy Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate?
You can request a quote for Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[1-(4-pyridinyl)ethylidene]amino}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.