RefChem:339957
TL;DR: RefChem:339957 (CAS 54099-17-1) is a chemical compound with molecular formula C19H34INO2 and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(adamantane-1-carbonyloxy)ethyl-triethylazanium iodide
Also Known As: N,N,N-Triethyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyloxy)ethanaminium iodide, Ethanaminium, N,N,N-triethyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyloxy)-, iodide, 2-(adamantane-1-carbonyloxy)ethyl-triethylazanium iodide, 2-(adamantane-1-carbonyloxy)ethyl-triethylazanium,iodide, N,N,N-Triethyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)oxy]ethan-1-aminium iodide
| Molecular Formula | C19H34INO2 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 0.6265 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.16342 |
| Heavy Atoms | 23 |
| Complexity | 376.0438 |
Chemical Identifiers
| CAS Number | 54099-17-1 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)C12CC3CC(C1)CC(C3)C2.[I-] |
Product Overview
RefChem:339957 (CAS 54099-17-1), with molecular formula C19H34INO2 and molecular weight 435.16 g/mol. IUPAC: 2-(adamantane-1-carbonyloxy)ethyl-triethylazanium iodide.
Chemical Property Profile of RefChem:339957
Property Insights of RefChem:339957
The XLogP value of 0.6265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339957. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:339957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339957 has 0 hydrogen bond donor(s) and 2 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:339957?
The CAS number of RefChem:339957 is 54099-17-1.
What is the molecular formula of RefChem:339957?
The molecular formula of RefChem:339957 is C19H34INO2.
What is the molecular weight of RefChem:339957?
The molecular weight of RefChem:339957 is 435.16 g/mol.
Where can I buy RefChem:339957?
You can request a quote for RefChem:339957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339957?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.