1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea
TL;DR: 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea (CAS 313238-93-6) 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.
3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide
Also Known As: 1-PHENYL-3-(3,5,7-TRIMETHYLADAMANTANE-1-CARBONYL)THIOUREA, 3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide, (3r,5r,7r)-3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide, 3,5,7-trimethyl-N-(phenylcarbamothioyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 4.8863 |
| 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 | 675.12256 |
Chemical Identifiers
| CAS Number | 313238-93-6 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC(=S)NC4=CC=CC=C4)C)C |
Product Overview
1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea (CAS 313238-93-6), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: 3,5,7-trimethyl-N-(phenylcarbamothioyl)adamantane-1-carboxamide.
Chemical Property Profile of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea
Property Insights of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea
The XLogP value of 4.8863 indicates that 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea 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 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea?
The CAS number of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea is 313238-93-6.
What is the molecular formula of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea?
The molecular formula of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea is C21H28N2OS.
What is the molecular weight of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea?
The molecular weight of 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea is 356.19 g/mol.
Where can I buy 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea?
You can request a quote for 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(3,5,7-trimethyladamantane-1-carbonyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.