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Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate
TL;DR: Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate (CAS 339017-17-3) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate
Also Known As: methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]-2-thiophenecarboxylate, Methyl 3-[(3-oxo-2-phenyl-but-1-enyl)amino]thiophene-2-carboxylate, methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate, METHYL 3-[(3-OXO-2-PHENYLBUT-1-EN-1-YL)AMINO]THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.5767 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 673.84033 |
Chemical Identifiers
| CAS Number | 339017-17-3 |
|---|---|
| SMILES | CC(=O)C(=CNC1=C(SC=C1)C(=O)OC)C2=CC=CC=C2 |
Product Overview
Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate (CAS 339017-17-3), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate
Property Insights of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate
The XLogP value of 3.5767 indicates that Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate has 1 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-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate?
The CAS number of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate is 339017-17-3.
What is the molecular formula of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate?
The molecular formula of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate is C16H15NO3S.
What is the molecular weight of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate?
The molecular weight of Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate is 301.08 g/mol.
Where can I buy Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate?
You can request a quote for Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.