![Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate structure](/static/products/835/835912-83-9.png)
Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate (CAS 835912-83-9) is a chemical compound with molecular formula C10H8FNO2S and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate, methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate, Methyl 3-amino-5-fluoro-benzo[b]thiophene-2-carboxylate, methyl 3-amino-5-fluoro-benzothiophene-2-carboxylate, methyl3-amino-5-fluorobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C10H8FNO2S |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 2.4092 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.02597 |
| Heavy Atoms | 15 |
| Complexity | 535.4471 |
Chemical Identifiers
| CAS Number | 835912-83-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=CC(=C2)F)N |
Product Overview
Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate (CAS 835912-83-9), with molecular formula C10H8FNO2S and molecular weight 225.03 g/mol. IUPAC: methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate
The XLogP value of 2.4092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-5-fluorobenzo[b]thiophene-2-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 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate is 835912-83-9.
What is the molecular formula of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate is C10H8FNO2S.
What is the molecular weight of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate is 225.03 g/mol.
Where can I buy Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-5-fluorobenzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.