Ethinamate
TL;DR: Ethinamate (CAS 126-52-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-ethynylcyclohexyl) carbamate
Also Known As: ethinamate, Valmid, Ethinamat, Valmidate, Valamin
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
| Melting Point | 94-96 |
| Boiling Point | 120 |
| Refractive Index | INDEX OF REFRACTION: 1.530 ALPHA, 1.536 BETA, 1.546 GAMMA; OPTIC SIGN + |
| Solubility | 2500 |
| SMILES | C#CC1(CCCCC1)OC(=O)N |
| InChIKey | GXRZIMHKGDIBEW-UHFFFAOYSA-N |
Product Description
Applications: Ethinamate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethinamate (CAS 126-52-3) is a pharmaceutical intermediate with the molecular formula C9H13NO2 and a molecular weight of 167.09 g/mol. Key physical properties include a solubility: 2500. Synonyms include ethinamate and Valmid.
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 Ethinamate
Property Insights of Ethinamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethinamate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethinamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethinamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethinamate?
The CAS number of Ethinamate is 126-52-3.
What is the molecular formula of Ethinamate?
The molecular formula of Ethinamate is C9H13NO2.
What is the molecular weight of Ethinamate?
The molecular weight of Ethinamate is 167.09464 g/mol.
What are the applications of Ethinamate?
Ethinamate 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. Available from CoreyChem as both catalog item and...
Where can I buy Ethinamate?
You can request a quote for Ethinamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethinamate?
Yes, CoreyChem provides custom synthesis services for Ethinamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.