Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
TL;DR: Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate (CAS 104636-77-3) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
Also Known As: methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate, methyl 3-(2,4-diaminophenoxy)-2-thiophenecarboxylate, methyldiaminophenoxythiophenecarboxylate, 1038AA, methyl 3-(2,4-diaminophenoxy)-2-thiophene carboxylate
Technical Specifications
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.05685 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05685 Da |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
| SMILES | COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)N)N |
| InChIKey | BHYJCDZZCPONPJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
Property Insights of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 6 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-(2,4-diaminophenoxy)thiophene-2-carboxylate?
The CAS number of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate is 104636-77-3.
What is the molecular formula of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate?
The molecular formula of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate is C12H12N2O3S.
What is the molecular weight of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate?
The molecular weight of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate is 264.05685 g/mol.
Where can I buy Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate?
You can request a quote for Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.