Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate
TL;DR: Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate (CAS 144899-95-6) is a chemical compound with molecular formula C10H8FNO2S and molecular weight 225.02597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3-amino-4-fluorobenzo[b]thiophene-2-carboxylate, 6-nitropyridin-2-amine, methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate, 4383AD, Benzo[b]thiophene-2-carboxylic acid, 3-amino-4-fluoro-, methyl ester
Technical Specifications
| Molecular Formula | C10H8FNO2S |
| Molecular Weight | 225.02597 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02597 Da |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
| SMILES | COC(=O)C1=C(C2=C(C=CC=C2S1)F)N |
| InChIKey | WOWVQQVKSSAEDP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate
Property Insights of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate
The XLogP value of 3.1 indicates that Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate is 144899-95-6.
What is the molecular formula of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate is C10H8FNO2S.
What is the molecular weight of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate is 225.02597 g/mol.
Where can I buy Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.