![Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate structure](/static/products/925/92539-87-2.png)
Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate
TL;DR: Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate (CAS 92539-87-2) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-acetamido-1-benzothiophene-3-carboxylate, methyl 2-acetamidobenzo[b]thiophene-3-carboxylate, F2779-0001, 2-(Acetylamino)benzo[b]thiophene-3-carboxylic acid methyl ester
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.6463 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 588.4483 |
Chemical Identifiers
| CAS Number | 92539-87-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)OC |
Product Overview
Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate (CAS 92539-87-2), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: methyl 2-acetamido-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate
Property Insights of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate
The XLogP value of 2.6463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 2-acetamidobenzo[b]thiophene-3-carboxylate?
The CAS number of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate is 92539-87-2.
What is the molecular formula of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate?
The molecular formula of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate is C12H11NO3S.
What is the molecular weight of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate?
The molecular weight of Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate is 249.05 g/mol.
Where can I buy Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate?
You can request a quote for Methyl 2-acetamidobenzo[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 2-acetamidobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamidobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.