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Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate
TL;DR: Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate (CAS 329903-03-9) is a chemical compound with molecular formula C16H13N3O5S2 and molecular weight 391.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
Also Known As: ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate, ethyl 2-[2-(5-nitro-1-benzothiophene-2-amido)-1,3-thiazol-4-yl]acetate, F0463-0117, ethyl 2-[2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
| Molecular Formula | C16H13N3O5S2 |
|---|---|
| Molecular Weight | 391.03 g/mol |
| LogP | 3.6239 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.02966 |
| Heavy Atoms | 26 |
| Complexity | 994.8549 |
Chemical Identifiers
| CAS Number | 329903-03-9 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate (CAS 329903-03-9), with molecular formula C16H13N3O5S2 and molecular weight 391.03 g/mol. IUPAC: ethyl 2-[2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate
Property Insights of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate
The XLogP value of 3.6239 indicates that Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate 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-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate 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-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate?
The CAS number of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate is 329903-03-9.
What is the molecular formula of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate?
The molecular formula of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate is C16H13N3O5S2.
What is the molecular weight of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate?
The molecular weight of Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate is 391.03 g/mol.
Where can I buy Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate?
You can request a quote for Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate 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-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(5-nitrobenzo[b]thiophene-2-carboxamido)thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.