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Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate (CAS 545356-13-6) is a chemical compound with molecular formula C18H14BrNO3S and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate, F2779-0162, ethyl 2-(3-bromobenzamido)benzo[b]thiophene-3-carboxylate, ethyl 2-[(3-bromophenyl)carbonylamino]benzo[b]thiophene-3-carboxylate, ethyl 2-{[(3-bromophenyl)carbonyl]amino}-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H14BrNO3S |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 5.0928 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.9878 |
| Heavy Atoms | 24 |
| Complexity | 919.5228 |
Chemical Identifiers
| CAS Number | 545356-13-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)Br |
Product Overview
Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate (CAS 545356-13-6), with molecular formula C18H14BrNO3S and molecular weight 402.99 g/mol. IUPAC: ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate
The XLogP value of 5.0928 indicates that Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate is 545356-13-6.
What is the molecular formula of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate is C18H14BrNO3S.
What is the molecular weight of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate is 402.99 g/mol.
Where can I buy Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(3-bromobenzoyl)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-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.