Methyl 2-amino-3-thenoate
TL;DR: Methyl 2-amino-3-thenoate (CAS 4651-81-4) is a chemical compound with molecular formula C6H7NO2S and molecular weight 157.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-aminothiophene-3-carboxylate
Also Known As: methyl 2-aminothiophene-3-carboxylate, Methyl 2-amino-3-thenoate, null, zlchem 402, methyl 2-amino-3-thiophenecarboxylate
| Molecular Formula | C6H7NO2S |
|---|---|
| Molecular Weight | 157.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.01974 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4651-81-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)N |
| InChIKey | DGGJQLCAYQCPDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-3-thenoate (CAS 4651-81-4), with molecular formula C6H7NO2S and molecular weight 157.02 g/mol. IUPAC: methyl 2-aminothiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-amino-3-thenoate
Property Insights of Methyl 2-amino-3-thenoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3-thenoate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-thenoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-thenoate 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-amino-3-thenoate?
The CAS number of Methyl 2-amino-3-thenoate is 4651-81-4.
What is the molecular formula of Methyl 2-amino-3-thenoate?
The molecular formula of Methyl 2-amino-3-thenoate is C6H7NO2S.
What is the molecular weight of Methyl 2-amino-3-thenoate?
The molecular weight of Methyl 2-amino-3-thenoate is 157.02 g/mol.
Where can I buy Methyl 2-amino-3-thenoate?
You can request a quote for Methyl 2-amino-3-thenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-thenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-thenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.