(1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate
TL;DR: (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate (CAS 313241-17-7) is a chemical compound with molecular formula C18H29NS2 and molecular weight 323.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethyl-1-adamantyl) piperidine-1-carbodithioate
Also Known As: (3-ethyl-1-adamantyl) piperidine-1-carbodithioate, (1S,3S,5R,7S)-3-ETHYLADAMANTAN-1-YL PIPERIDINE-1-CARBODITHIOATE, 3-ethyltricyclo[3.3.1.1~3,7~]dec-1-yl piperidine-1-carbodithioate
| Molecular Formula | C18H29NS2 |
|---|---|
| Molecular Weight | 323.17 g/mol |
| LogP | 5.2394 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.17413 |
| Heavy Atoms | 21 |
| Complexity | 412.93427 |
Chemical Identifiers
| CAS Number | 313241-17-7 |
|---|---|
| SMILES | CCC12CC3CC(C1)CC(C3)(C2)SC(=S)N4CCCCC4 |
Product Overview
(1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate (CAS 313241-17-7), with molecular formula C18H29NS2 and molecular weight 323.17 g/mol. IUPAC: (3-ethyl-1-adamantyl) piperidine-1-carbodithioate.
Chemical Property Profile of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate
Property Insights of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate
The XLogP value of 5.2394 indicates that (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate 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 (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate?
The CAS number of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate is 313241-17-7.
What is the molecular formula of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate?
The molecular formula of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate is C18H29NS2.
What is the molecular weight of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate?
The molecular weight of (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate is 323.17 g/mol.
Where can I buy (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate?
You can request a quote for (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (1S,3S,5R,7S)-3-Ethyladamantan-1-YL piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.