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Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate (CAS 296266-63-2) is a chemical compound with molecular formula C25H18N4O8S and molecular weight 534.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7-bis[(4-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate
Also Known As: BAS 01022694, ETHYL 2,7-BIS(4-NITROBENZAMIDO)-1-BENZOTHIOPHENE-3-CARBOXYLATE, AH-262/08459023, ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate, A2187/0091965
| Molecular Formula | C25H18N4O8S |
|---|---|
| Molecular Weight | 534.08 g/mol |
| LogP | 5.399 |
| Topological Polar Surface Area | 170.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.08453 |
| Heavy Atoms | 38 |
| Complexity | 1579.7136 |
Chemical Identifiers
| CAS Number | 296266-63-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate (CAS 296266-63-2), with molecular formula C25H18N4O8S and molecular weight 534.08 g/mol. IUPAC: ethyl 2,7-bis[(4-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate
The XLogP value of 5.399 indicates that Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.78 Ų indicates high polarity, suggesting Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate is 296266-63-2.
What is the molecular formula of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate is C25H18N4O8S.
What is the molecular weight of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate is 534.08 g/mol.
Where can I buy Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-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 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,7-bis{[(4-nitrophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.