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Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate
TL;DR: Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate (CAS 391867-27-9) is a chemical compound with molecular formula C21H15N3O5S2 and molecular weight 453.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate, F0463-0126, ethyl 2-(5-nitro-1-benzothiophene-2-amido)-4-phenyl-1,3-thiazole-5-carboxylate, ethyl 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate, Ethyl 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C21H15N3O5S2 |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 5.362 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.04532 |
| Heavy Atoms | 31 |
| Complexity | 1297.0988 |
Chemical Identifiers
| CAS Number | 391867-27-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate (CAS 391867-27-9), with molecular formula C21H15N3O5S2 and molecular weight 453.05 g/mol. IUPAC: ethyl 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate
Property Insights of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate
The XLogP value of 5.362 indicates that Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-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 Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate is 391867-27-9.
What is the molecular formula of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate is C21H15N3O5S2.
What is the molecular weight of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate is 453.05 g/mol.
Where can I buy Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-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-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-nitrobenzo[b]thiophene-2-carboxamido)-4-phenylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.