依美斯汀
TL;DR: 依美斯汀 (CAS 87233-61-2) is a chemical compound with molecular formula C17H26N4O and molecular weight 302.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依美斯汀
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
Also Known As: emedastine, Emadine, Emedastina, Emedastinum, Emedastine [INN]
| Molecular Formula | C17H26N4O |
|---|---|
| Molecular Weight | 302.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.21066 |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
| Solubility | Soluble (difumarate formulation) |
Chemical Identifiers
| CAS Number | 87233-61-2 |
|---|---|
| SMILES | CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C |
| InChIKey | KBUZBQVCBVDWKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依美斯汀 (CAS 87233-61-2), with molecular formula C17H26N4O and molecular weight 302.21 g/mol. IUPAC: 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole.
Chemical Property Profile of 依美斯汀
Property Insights of 依美斯汀
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 依美斯汀. With a topological polar surface area (TPSA) of 33.5 Ų, 依美斯汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依美斯汀 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
Frequently Asked Questions
What is the CAS number of 依美斯汀?
The CAS number of 依美斯汀 is 87233-61-2.
What is the molecular formula of 依美斯汀?
The molecular formula of 依美斯汀 is C17H26N4O.
What is the molecular weight of 依美斯汀?
The molecular weight of 依美斯汀 is 302.21 g/mol.
Where can I buy 依美斯汀?
You can request a quote for 依美斯汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依美斯汀?
Yes, KEHONG BIO provides custom synthesis services for 依美斯汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.