ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 438455-99-3) 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.
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate, ETHYL 2-(2H-1,3-BENZODIOXOLE-5-AMIDO)-4-ETHYL-5-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(benzo[d][1,3]dioxole-5-carboxamido)-4-ethyl-5-methylthiophene-3-carboxylate, ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate, ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.77662 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 827.1142 |
Chemical Identifiers
| CAS Number | 438455-99-3 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC3=C(C=C2)OCO3)C |
Product Overview
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 438455-99-3), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 3.77662 indicates that ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate 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 ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate is 438455-99-3.
What is the molecular formula of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate is C18H19NO5S.
What is the molecular weight of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate is 361.10 g/mol.
Where can I buy ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.