![dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate structure](/static/products/840/840471-10-5.png)
dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate
TL;DR: dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate (CAS 840471-10-5) is a chemical compound with molecular formula C13H15NO5S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-but-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (E)-dimethyl 5-(but-2-enamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[[(E)-but-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C13H15NO5S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.14432 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0671 |
| Heavy Atoms | 20 |
| Complexity | 573.5618 |
Chemical Identifiers
| CAS Number | 840471-10-5 |
|---|---|
| SMILES | C/C=C/C(=O)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC |
Product Overview
dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate (CAS 840471-10-5), with molecular formula C13H15NO5S and molecular weight 297.07 g/mol. IUPAC: dimethyl 5-[[(E)-but-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate
Property Insights of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 2.14432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate has 1 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 dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate?
The CAS number of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate is 840471-10-5.
What is the molecular formula of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate is C13H15NO5S.
What is the molecular weight of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate is 297.07 g/mol.
Where can I buy dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-[(2E)-but-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.