2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 103765-33-9) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, 5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester, 2,4-dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, Dimethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate, BAS 00381380
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 103765-33-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N)C(=O)OC |
| InChIKey | JNLHLSOENLVUIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate (CAS 103765-33-9), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 103765-33-9.
What is the molecular formula of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is C9H11NO4S.
What is the molecular weight of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is 229.04 g/mol.
Where can I buy 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.