![Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/1134/113417-47-3.webp)
Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 113417-47-3) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate, Ethyl 5-methyl-4-(phenylamino)thieno[2,3-d]pyrimidine-6-carboxylate, AR-434/43382678, Thieno[2,3-d]pyrimidine-6-carboxylic acid, 5-methyl-4-(phenylamino)-, ethyl ester, Ethyl 2-anilino-9-methyl-7-thia-3,5-diazabicyclo[4.3.0]nona-1,3,5,8-tetraene-8-carboxylate
Technical Specifications
| Molecular Formula | C16H15N3O2S |
| Molecular Weight | 313.0885 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0885 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=CC=C3)C |
| InChIKey | IPAKJDLKMLQCES-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 4.3 indicates that Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate 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
What is the CAS number of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is 113417-47-3.
What is the molecular formula of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is C16H15N3O2S.
What is the molecular weight of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is 313.0885 g/mol.
Where can I buy Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.