Emedastine
TL;DR: Emedastine (CAS 87233-61-2) is a chemical compound with molecular formula C17H26N4O and molecular weight 302.21066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
Also Known As: emedastine, Emadine, Emedastina, Emedastinum, Emedastine [INN]
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H26N4O |
| Molecular Weight | 302.21066 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 33.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.21066 Da |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
| Solubility | Soluble (difumarate formulation) |
| SMILES | CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C |
| InChIKey | KBUZBQVCBVDWKX-UHFFFAOYSA-N |
Product Description
Applications: Emedastine 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).
A pharmaceutical intermediate supplied by CoreyChem, Emedastine (CAS 87233-61-2) has the molecular formula C17H26N4O and a molecular weight of 302.21 g/mol. Reported properties include a solubility: Soluble (difumarate formulation). Synonyms include emedastine and Emadine.
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 Emedastine
Property Insights of Emedastine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emedastine. With a topological polar surface area (TPSA) of 33.5 Ų, Emedastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emedastine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Emedastine?
The CAS number of Emedastine is 87233-61-2.
What is the molecular formula of Emedastine?
The molecular formula of Emedastine is C17H26N4O.
What is the molecular weight of Emedastine?
The molecular weight of Emedastine is 302.21066 g/mol.
What are the applications of Emedastine?
Emedastine 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 Emedastine?
You can request a quote for Emedastine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emedastine?
Yes, CoreyChem provides custom synthesis services for Emedastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.