![Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate structure](/static/products/3390/339097-03-9.webp)
Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate
TL;DR: Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate (CAS 339097-03-9) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxythiophene-2-carboxylate
Also Known As: METHYL 3-{[5-(DIMETHYLAMINO)-3-OXOPENT-4-EN-2-YL]OXY}THIOPHENE-2-CARBOXYLATE, methyl 3-{[4-(dimethylamino)-1-methyl-2-oxo-3-butenyl]oxy}-2-thiophenecarboxylate, methyl 3-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxythiophene-2-carboxylate, Methyl 3-[[4-(dimethylamino)-1-methyl-2-oxo-3-buten-1-yl]oxy]-2-thiophenecarboxylate
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 1.9464 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 478.7427 |
Chemical Identifiers
| CAS Number | 339097-03-9 |
|---|---|
| SMILES | CC(C(=O)C=CN(C)C)OC1=C(SC=C1)C(=O)OC |
Product Overview
Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate (CAS 339097-03-9), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: methyl 3-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxythiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate
Property Insights of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate
The XLogP value of 1.9464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 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-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate?
The CAS number of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate is 339097-03-9.
What is the molecular formula of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate?
The molecular formula of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate is C13H17NO4S.
What is the molecular weight of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate?
The molecular weight of Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate is 283.09 g/mol.
Where can I buy Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate?
You can request a quote for Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}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-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[5-(dimethylamino)-3-oxopent-4-EN-2-YL]oxy}thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.