Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate
TL;DR: Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate (CAS 82546-91-6) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate, CHEMBRDG-BB 4142348, 2-Amino-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester, Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate, 2-amino-4-ethyl-5-methylthiophene-3-carboxylic acid methyl ester
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 82546-91-6 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)N)C |
| InChIKey | ODDNCALHGKYZJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate (CAS 82546-91-6), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: methyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate
Property Insights of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate 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-4-ethyl-5-methyl-3-thiophenecarboxylate?
The CAS number of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate is 82546-91-6.
What is the molecular formula of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate?
The molecular formula of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate is C9H13NO2S.
What is the molecular weight of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate?
The molecular weight of Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate is 199.07 g/mol.
Where can I buy Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate?
You can request a quote for Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate 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-4-ethyl-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.