Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
TL;DR: Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate (CAS 53002-57-6) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00502408, diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate, 2,4-diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(benzoylamino)-3-methyl-2,4-thiophenedicarboxylate, AE-848/32327050
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.66222 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 782.26416 |
Chemical Identifiers
| CAS Number | 53002-57-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC=CC=C2 |
Product Overview
Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate (CAS 53002-57-6), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
Property Insights of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.66222 indicates that Diethyl 5-benzamido-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 Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-benzamido-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 Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate is 53002-57-6.
What is the molecular formula of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate is C18H19NO5S.
What is the molecular weight of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate is 361.10 g/mol.
Where can I buy Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 5-benzamido-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 Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.