RefChem:1055090
TL;DR: RefChem:1055090 (CAS 54099-18-2) is a chemical compound with molecular formula C18H32INO2 and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(adamantane-1-carbonyloxy)propyl-ethyl-dimethylazanium iodide
Also Known As: 1-Butanaminium, N-ethyl-N,N-dimethyl-3-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)-, iodide, 3-(adamantane-1-carbonyloxy)propyl-ethyl-dimethylazanium iodide, 3-(adamantane-1-carbonyloxy)propyl-ethyl-dimethylazanium,iod, RefChem:1055090
| Molecular Formula | C18H32INO2 |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 0.2364 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.14777 |
| Heavy Atoms | 22 |
| Complexity | 372.60712 |
Chemical Identifiers
| CAS Number | 54099-18-2 |
|---|---|
| SMILES | CC[N+](C)(C)CCCOC(=O)C12CC3CC(C1)CC(C3)C2.[I-] |
Product Overview
RefChem:1055090 (CAS 54099-18-2), with molecular formula C18H32INO2 and molecular weight 421.15 g/mol. IUPAC: 3-(adamantane-1-carbonyloxy)propyl-ethyl-dimethylazanium iodide.
Chemical Property Profile of RefChem:1055090
Property Insights of RefChem:1055090
The XLogP value of 0.2364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055090. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1055090 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055090 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:1055090?
The CAS number of RefChem:1055090 is 54099-18-2.
What is the molecular formula of RefChem:1055090?
The molecular formula of RefChem:1055090 is C18H32INO2.
What is the molecular weight of RefChem:1055090?
The molecular weight of RefChem:1055090 is 421.15 g/mol.
Where can I buy RefChem:1055090?
You can request a quote for RefChem:1055090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.