RefChem:339944
TL;DR: RefChem:339944 (CAS 69844-09-3) is a chemical compound with molecular formula C23H31IN2O3 and molecular weight 510.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide
Also Known As: Ethanaminium, 2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-N,N,N-triethyl-, iodide, 2-[3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]-N,N,N-triethylethan-1-aminium iodide, ETHANAMINIUM, 2-(3-(1,3,3a,4,7,7a-HEXAHYDRO-1,3-DIOXO-4,7-METHANO-2H-ISOINDOL-2-, RefChem:339944
| Molecular Formula | C23H31IN2O3 |
|---|---|
| Molecular Weight | 510.14 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.13794 |
| Heavy Atoms | 29 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 69844-09-3 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[I-] |
| InChIKey | YMLLWKRYSLIPPX-UHFFFAOYSA-M |
Product Overview
RefChem:339944 (CAS 69844-09-3), with molecular formula C23H31IN2O3 and molecular weight 510.14 g/mol. IUPAC: 2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-triethylazanium iodide.
Chemical Property Profile of RefChem:339944
Property Insights of RefChem:339944
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339944. With a topological polar surface area (TPSA) of 46.6 Ų, RefChem:339944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339944 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:339944?
The CAS number of RefChem:339944 is 69844-09-3.
What is the molecular formula of RefChem:339944?
The molecular formula of RefChem:339944 is C23H31IN2O3.
What is the molecular weight of RefChem:339944?
The molecular weight of RefChem:339944 is 510.14 g/mol.
Where can I buy RefChem:339944?
You can request a quote for RefChem:339944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339944?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.