![(3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide structure](/static/products/3140/314031-95-3.webp)
(3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide
TL;DR: (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide (CAS 314031-95-3) is a chemical compound with molecular formula C21H28N2OS and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide
Also Known As: (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide, 3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide, 3-(3,5-DIMETHYLADAMANTANE-1-CARBONYL)-1-(4-METHYLPHENYL)THIOUREA, (1r,3R,5S,7r)-3,5-dimethyl-N-(p-tolylcarbamothioyl)adamantane-1-carboxamide
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 4.80462 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.19223 |
| Heavy Atoms | 25 |
| Complexity | 707.9165 |
Chemical Identifiers
| CAS Number | 314031-95-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C |
Product Overview
(3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide (CAS 314031-95-3), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: 3,5-dimethyl-N-[(4-methylphenyl)carbamothioyl]adamantane-1-carboxamide.
Chemical Property Profile of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide
Property Insights of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide
The XLogP value of 4.80462 indicates that (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide has 2 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 (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide?
The CAS number of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide is 314031-95-3.
What is the molecular formula of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide?
The molecular formula of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide is C21H28N2OS.
What is the molecular weight of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide?
The molecular weight of (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide is 356.19 g/mol.
Where can I buy (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide?
You can request a quote for (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}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-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyladamantanyl)-N-{[(4-methylphenyl)amino]thioxomethyl}carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.