3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
TL;DR: 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide (CAS 324042-92-4) is a chemical compound with molecular formula C18H28N2O2S and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
Also Known As: 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide, (3,5-dimethyladamantanyl)-N-(morpholin-4-ylthioxomethyl)carboxamide, 3,5-dimethyl-N-(4-morpholinylcarbonothioyl)-1-adamantanecarboxamide, 3,5-dimethyl-N-(morpholin-4-ylcarbonothioyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, (1r,3R,5S,7r)-3,5-dimethyl-N-(morpholine-4-carbonothioyl)adamantane-1-carboxamide
| Molecular Formula | C18H28N2O2S |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 2.7163 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.18716 |
| Heavy Atoms | 23 |
| Complexity | 525.13965 |
Chemical Identifiers
| CAS Number | 324042-92-4 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(=S)N4CCOCC4)C |
Product Overview
3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide (CAS 324042-92-4), with molecular formula C18H28N2O2S and molecular weight 336.19 g/mol. IUPAC: 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide.
Chemical Property Profile of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
Property Insights of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
The XLogP value of 2.7163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide. With a topological polar surface area (TPSA) of 41.57 Ų, 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide has 1 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 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide?
The CAS number of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide is 324042-92-4.
What is the molecular formula of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide?
The molecular formula of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide is C18H28N2O2S.
What is the molecular weight of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide?
The molecular weight of 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide is 336.19 g/mol.
Where can I buy 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide?
You can request a quote for 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.