1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide
TL;DR: 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide (CAS 54099-16-0) is a chemical compound with molecular formula C21H39IN2O and molecular weight 462.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[3-(diethylamino)propyl]acetamide;iodoethane
Also Known As: N-(3-(Diethylamino)propyl)-1-adamantaneacetamide ethyl iodide, 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide, 2-(1-adamantyl)-N-[3-(diethylamino)propyl]acetamide,iodoethane, 2-(1-adamantyl)-N-[3-(diethylamino)propyl]acetamide; iodoethane, 2-(Adamantan-1-yl)-N-[3-(diethylamino)propyl]acetamide--iodoethane (1/1)
| Molecular Formula | C21H39IN2O |
|---|---|
| Molecular Weight | 462.21 g/mol |
| LogP | 4.88 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.21072 |
| Heavy Atoms | 25 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 54099-16-0 |
|---|---|
| SMILES | CCN(CC)CCCNC(=O)CC12CC3CC(C1)CC(C3)C2.CCI |
| InChIKey | UMRCHYLDMXVONG-UHFFFAOYSA-N |
Product Overview
1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide (CAS 54099-16-0), with molecular formula C21H39IN2O and molecular weight 462.21 g/mol. IUPAC: 2-(1-adamantyl)-N-[3-(diethylamino)propyl]acetamide;iodoethane.
Chemical Property Profile of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide
Property Insights of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide
The XLogP value of 4.88 indicates that 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide has 1 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 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide?
The CAS number of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide is 54099-16-0.
What is the molecular formula of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide?
The molecular formula of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide is C21H39IN2O.
What is the molecular weight of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide?
The molecular weight of 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide is 462.21 g/mol.
Where can I buy 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide?
You can request a quote for 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantaneacetamide, N-(3-(diethylamino)propyl)-, ethyl iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.