2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 519016-62-7) is a chemical compound with molecular formula C15H20ClNO5S and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 4-O-ethyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate, 2-O-tert-butyl 4-O-ethyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate, 2-tert-butyl4-ethyl5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate, Tert-butyl Ethyl 5-[(2-chloroacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylate, 2-(1,1-Dimethylethyl) 4-ethyl 5-[(2-chloroacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
| Molecular Formula | C15H20ClNO5S |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 3.36582 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.07507 |
| Heavy Atoms | 23 |
| Complexity | 618.1188 |
Chemical Identifiers
| CAS Number | 519016-62-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CCl |
Product Overview
2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 519016-62-7), with molecular formula C15H20ClNO5S and molecular weight 361.08 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.36582 indicates that 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-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 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-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 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate is 519016-62-7.
What is the molecular formula of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate is C15H20ClNO5S.
What is the molecular weight of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate is 361.08 g/mol.
Where can I buy 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-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 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.