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Methyl 5-bromobenzo[b]thiophene-3-carboxylate
TL;DR: Methyl 5-bromobenzo[b]thiophene-3-carboxylate (CAS 7312-25-6) is a chemical compound with molecular formula C10H7BrO2S and molecular weight 269.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-1-benzothiophene-3-carboxylate
Also Known As: Methyl 5-bromobenzo[b]thiophene-3-carboxylate, Methyl 5-bromo-1-benzothiophene-3-carboxylate, Methyl 5-bromobenzo(b)thiophene-3-carboxylate, Methyl5-bromobenzo[b]thiophene-3-carboxylate, J1.427.307G
| Molecular Formula | C10H7BrO2S |
|---|---|
| Molecular Weight | 269.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.935 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 7312-25-6 |
|---|---|
| SMILES | COC(=O)C1=CSC2=C1C=C(C=C2)Br |
| InChIKey | QZNZVRWWWOWDRV-UHFFFAOYSA-N |
Product Overview
Methyl 5-bromobenzo[b]thiophene-3-carboxylate (CAS 7312-25-6), with molecular formula C10H7BrO2S and molecular weight 269.94 g/mol. IUPAC: methyl 5-bromo-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Methyl 5-bromobenzo[b]thiophene-3-carboxylate
Property Insights of Methyl 5-bromobenzo[b]thiophene-3-carboxylate
The XLogP value of 3.5 indicates that Methyl 5-bromobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 5-bromobenzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromobenzo[b]thiophene-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 5-bromobenzo[b]thiophene-3-carboxylate?
The CAS number of Methyl 5-bromobenzo[b]thiophene-3-carboxylate is 7312-25-6.
What is the molecular formula of Methyl 5-bromobenzo[b]thiophene-3-carboxylate?
The molecular formula of Methyl 5-bromobenzo[b]thiophene-3-carboxylate is C10H7BrO2S.
What is the molecular weight of Methyl 5-bromobenzo[b]thiophene-3-carboxylate?
The molecular weight of Methyl 5-bromobenzo[b]thiophene-3-carboxylate is 269.94 g/mol.
Where can I buy Methyl 5-bromobenzo[b]thiophene-3-carboxylate?
You can request a quote for Methyl 5-bromobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.