RefChem:1061062
TL;DR: RefChem:1061062 (CAS 92876-63-6) is a chemical compound with molecular formula C9H24I2N4O and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(diaminomethylideneazaniumyl)propoxy]ethyl-trimethylazanium diiodide
Also Known As: (2-(3-Guanidinopropoxy)ethyl)trimethylammonium iodide hydriodide, AMMONIUM, (2-(3-GUANIDINOPROPOXY)ETHYL)TRIMETHYL-, IODIDE, HYDRIODIDE, 2-[3-(diaminomethylideneazaniumyl)propoxy]ethyl-trimethylazaniumdiiodide, 2-[3-(diaminomethylideneazaniumyl)propoxy]ethyl-trimethylazanium diiodide, 2-(3-Carbamimidamidopropoxy)-N,N,N-trimethylethan-1-aminium iodide--hydrogen iodide (1/1/1)
| Molecular Formula | C9H24I2N4O |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | -8.54 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.00397 |
| Heavy Atoms | 16 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 92876-63-6 |
|---|---|
| SMILES | C[N+](C)(C)CCOCCC[NH+]=C(N)N.[I-].[I-] |
| InChIKey | MKBUCRCXFFKDQL-UHFFFAOYSA-M |
Product Overview
RefChem:1061062 (CAS 92876-63-6), with molecular formula C9H24I2N4O and molecular weight 458.00 g/mol. IUPAC: 2-[3-(diaminomethylideneazaniumyl)propoxy]ethyl-trimethylazanium diiodide.
Chemical Property Profile of RefChem:1061062
Property Insights of RefChem:1061062
The XLogP value of -8.54 indicates that RefChem:1061062 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061062. Following Lipinski's Rule of Five, RefChem:1061062 has 3 hydrogen bond donor(s) and 3 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 RefChem:1061062?
The CAS number of RefChem:1061062 is 92876-63-6.
What is the molecular formula of RefChem:1061062?
The molecular formula of RefChem:1061062 is C9H24I2N4O.
What is the molecular weight of RefChem:1061062?
The molecular weight of RefChem:1061062 is 458.00 g/mol.
Where can I buy RefChem:1061062?
You can request a quote for RefChem:1061062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061062?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.