Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 540532-79-4) is a chemical compound with molecular formula C15H21NO5S and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[(2-ethylbutanoyl)amino]-3-methyl-2,4-thiophenedicarboxylate, dimethyl 5-[(2-ethylbutanoyl)amino]-3-methylthiophene-2,4-dicarboxylate, methyl 2-(2-ethylbutanoylamino)-5-(methoxycarbonyl)-4-methylthiophene-3-carbox ylate
| Molecular Formula | C15H21NO5S |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.00442 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.11404 |
| Heavy Atoms | 22 |
| Complexity | 574.7331 |
Chemical Identifiers
| CAS Number | 540532-79-4 |
|---|---|
| SMILES | CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC |
Product Overview
Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 540532-79-4), with molecular formula C15H21NO5S and molecular weight 327.11 g/mol. IUPAC: dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.00442 indicates that Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(2-ethylbutanoylamino)-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-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate is 540532-79-4.
What is the molecular formula of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate is C15H21NO5S.
What is the molecular weight of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate is 327.11 g/mol.
Where can I buy Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 5-(2-ethylbutanoylamino)-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-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.