Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate
TL;DR: Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate (CAS 445006-71-3) is a chemical compound with molecular formula C21H17N3O7S and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[(3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate, propyl 2-[(3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate, PROPYL 2-(3,5-DINITROBENZAMIDO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE, propyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-phenylthiophene-3-carboxylate, propyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C21H17N3O7S |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 5.0506 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.07874 |
| Heavy Atoms | 32 |
| Complexity | 1159.1089 |
Chemical Identifiers
| CAS Number | 445006-71-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate (CAS 445006-71-3), with molecular formula C21H17N3O7S and molecular weight 455.08 g/mol. IUPAC: propyl 2-[(3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate
Property Insights of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate
The XLogP value of 5.0506 indicates that Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-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 Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate?
The CAS number of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate is 445006-71-3.
What is the molecular formula of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate?
The molecular formula of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate is C21H17N3O7S.
What is the molecular weight of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate?
The molecular weight of Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate is 455.08 g/mol.
Where can I buy Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate?
You can request a quote for Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.