Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate
TL;DR: Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate (CAS 98593-57-8) is a chemical compound with molecular formula C8H11NO2S and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4,5-dimethylthiophene-2-carboxylate
Also Known As: methyl 3-amino-4,5-dimethylthiophene-2-carboxylate, methyl 3-amino-4,5-dimethyl-2-thiophenecarboxylate, Methyl 3-amino-4,5-dimethyl-thiophene-2-carboxylate, methyl 3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester
| Molecular Formula | C8H11NO2S |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 1.73374 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.05106 |
| Heavy Atoms | 12 |
| Complexity | 317.1029 |
Chemical Identifiers
| CAS Number | 98593-57-8 |
|---|---|
| SMILES | CC1=C(SC(=C1N)C(=O)OC)C |
Product Overview
Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate (CAS 98593-57-8), with molecular formula C8H11NO2S and molecular weight 185.05 g/mol. IUPAC: methyl 3-amino-4,5-dimethylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate
Property Insights of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate
The XLogP value of 1.73374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4,5-dimethylthiophene-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-4,5-dimethylthiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate is 98593-57-8.
What is the molecular formula of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate is C8H11NO2S.
What is the molecular weight of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate is 185.05 g/mol.
Where can I buy Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-4,5-dimethylthiophene-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-4,5-dimethylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4,5-dimethylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.