Ethylmercurichlorendimide
TL;DR: Ethylmercurichlorendimide (CAS 2597-93-5) is a chemical compound with molecular formula C11H7Cl6HgNO2 and molecular weight 596.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-(1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)mercury
Also Known As: Ethylmercurichlorendimide, EMMI, Caswell No. 480, 50-CS-46, EPA Pesticide Chemical Code 045301
| Molecular Formula | C11H7Cl6HgNO2 |
|---|---|
| Molecular Weight | 596.83 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 598.8285 |
| Heavy Atoms | 21 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 2597-93-5 |
|---|---|
| SMILES | CC[Hg]N1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | HTCXJNNIWILFQQ-UHFFFAOYSA-M |
Product Overview
Ethylmercurichlorendimide (CAS 2597-93-5), with molecular formula C11H7Cl6HgNO2 and molecular weight 596.83 g/mol. IUPAC: ethyl-(1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)mercury.
Chemical Property Profile of Ethylmercurichlorendimide
Property Insights of Ethylmercurichlorendimide
The XLogP value of 3.87 indicates that Ethylmercurichlorendimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Ethylmercurichlorendimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylmercurichlorendimide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethylmercurichlorendimide?
The CAS number of Ethylmercurichlorendimide is 2597-93-5.
What is the molecular formula of Ethylmercurichlorendimide?
The molecular formula of Ethylmercurichlorendimide is C11H7Cl6HgNO2.
What is the molecular weight of Ethylmercurichlorendimide?
The molecular weight of Ethylmercurichlorendimide is 596.83 g/mol.
Where can I buy Ethylmercurichlorendimide?
You can request a quote for Ethylmercurichlorendimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylmercurichlorendimide?
Yes, KEHONG BIO provides custom synthesis services for Ethylmercurichlorendimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.