![ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/304/304481-80-9.png)
ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 304481-80-9) is a chemical compound with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dinitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2,4-dinitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl2-{2,4-dinitroanilino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H17N3O6S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.3636 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.0838 |
| Heavy Atoms | 27 |
| Complexity | 923.6328 |
Chemical Identifiers
| CAS Number | 304481-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 304481-80-9), with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol. IUPAC: ethyl 2-(2,4-dinitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.3636 indicates that ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 304481-80-9.
What is the molecular formula of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C17H17N3O6S.
What is the molecular weight of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 391.08 g/mol.
Where can I buy ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.