ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
TL;DR: ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 69438-20-6) is a chemical compound with molecular formula C18H17N3O7S and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(3,5-dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate, ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
| Molecular Formula | C18H17N3O7S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 3.8723 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.07874 |
| Heavy Atoms | 29 |
| Complexity | 982.87396 |
Chemical Identifiers
| CAS Number | 69438-20-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 69438-20-6), with molecular formula C18H17N3O7S and molecular weight 419.08 g/mol. IUPAC: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
Property Insights of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
The XLogP value of 3.8723 indicates that ETHYL 2-(3,5-DINITROBENZAMIDO)-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 141.68 Ų indicates high polarity, suggesting ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ETHYL 2-(3,5-DINITROBENZAMIDO)-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-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The CAS number of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 69438-20-6.
What is the molecular formula of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular formula of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is C18H17N3O7S.
What is the molecular weight of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular weight of ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 419.08 g/mol.
Where can I buy ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
You can request a quote for ETHYL 2-(3,5-DINITROBENZAMIDO)-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-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.