Temocapil
TL;DR: Temocapil (CAS 111902-57-9) is a chemical compound with molecular formula C23H28N2O5S2 and molecular weight 476.14395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Also Known As: Temocapril, Temocapil, Temocapril-d5, Temocaprilum, temocapril hydrochloride
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H28N2O5S2 |
| Molecular Weight | 476.14395 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 476.14395 Da |
| Heavy Atoms | 32 |
| Complexity | 644.0 |
| SMILES | CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3 |
| InChIKey | FIQOFIRCTOWDOW-UHFFFAOYSA-N |
Product Description
Applications: Temocapil is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Temocapil (CAS 111902-57-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Temocapil (CAS 111902-57-9) is a pharmaceutical intermediate with the molecular formula C23H28N2O5S2 and a molecular weight of 476.14 g/mol. It is also known as Temocapril and Temocapil.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Temocapil
Property Insights of Temocapil
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Temocapil. The TPSA of 149.0 Ų indicates high polarity, suggesting Temocapil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Temocapil has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Temocapil?
The CAS number of Temocapil is 111902-57-9.
What is the molecular formula of Temocapil?
The molecular formula of Temocapil is C23H28N2O5S2.
What is the molecular weight of Temocapil?
The molecular weight of Temocapil is 476.14395 g/mol.
What are the applications of Temocapil?
Temocapil is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Temocapil (CAS 111902-57-9) with custom...
Where can I buy Temocapil?
You can request a quote for Temocapil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Temocapil?
Yes, CoreyChem provides custom synthesis services for Temocapil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.