RefChem:286112
TL;DR: RefChem:286112 (CAS 13713-14-9) is a chemical compound with molecular formula C16H30I2N2 and molecular weight 504.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)ethyl]azanium diiodide
Also Known As: 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(2-(trimethylammonio)ethyl)-, diiodide, 2-Methyl-2-[2-(trimethylazaniumyl)ethyl]-2,3,3a,4,7,7a-hexahydro-1H-4,7-ethanoisoindol-2-ium diiodide, RefChem:286112
| Molecular Formula | C16H30I2N2 |
|---|---|
| Molecular Weight | 504.05 g/mol |
| LogP | -4.0108 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.04984 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 13713-14-9 |
|---|---|
| SMILES | C[N+]1(CC2C3CCC(C2C1)C=C3)CC[N+](C)(C)C.[I-].[I-] |
| InChIKey | RPNUFNIWVDBGPP-UHFFFAOYSA-L |
Product Overview
RefChem:286112 (CAS 13713-14-9), with molecular formula C16H30I2N2 and molecular weight 504.05 g/mol. IUPAC: trimethyl-[2-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)ethyl]azanium diiodide.
Chemical Property Profile of RefChem:286112
Property Insights of RefChem:286112
The XLogP value of -4.0108 indicates that RefChem:286112 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:286112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:286112 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 RefChem:286112?
The CAS number of RefChem:286112 is 13713-14-9.
What is the molecular formula of RefChem:286112?
The molecular formula of RefChem:286112 is C16H30I2N2.
What is the molecular weight of RefChem:286112?
The molecular weight of RefChem:286112 is 504.05 g/mol.
Where can I buy RefChem:286112?
You can request a quote for RefChem:286112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:286112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:286112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.