![Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate structure](/static/products/3806/380645-40-9.webp)
Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate
TL;DR: Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate (CAS 380645-40-9) is a chemical compound with molecular formula C18H13BrO4S and molecular weight 403.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-bromobenzoyl)oxy-1-benzothiophene-2-carboxylate
Also Known As: ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate, AE-848/13424439, ethyl 3-(2-bromobenzoyl)oxy-1-benzothiophene-2-carboxylate, 3-(2-bromo-benzoyloxy)-benzo[b]thiophene-2-carboxylic acid ethyl ester
| Molecular Formula | C18H13BrO4S |
|---|---|
| Molecular Weight | 403.97 g/mol |
| LogP | 5.0597 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.9718 |
| Heavy Atoms | 24 |
| Complexity | 916.2777 |
Chemical Identifiers
| CAS Number | 380645-40-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CC=C3Br |
Product Overview
Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate (CAS 380645-40-9), with molecular formula C18H13BrO4S and molecular weight 403.97 g/mol. IUPAC: ethyl 3-(2-bromobenzoyl)oxy-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate
Property Insights of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate
The XLogP value of 5.0597 indicates that Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate?
The CAS number of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate is 380645-40-9.
What is the molecular formula of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate?
The molecular formula of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate is C18H13BrO4S.
What is the molecular weight of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate?
The molecular weight of Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate is 403.97 g/mol.
Where can I buy Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate?
You can request a quote for Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-bromobenzoyl)oxy]-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.