N-(tert-butylcarbamothioyl)adamantane-1-carboxamide
TL;DR: N-(tert-butylcarbamothioyl)adamantane-1-carboxamide (CAS 36997-95-2) is a chemical compound with molecular formula C16H26N2OS and molecular weight 294.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(tert-butylcarbamothioyl)adamantane-1-carboxamide
Also Known As: N-(tert-butylcarbamothioyl)adamantane-1-carboxamide, Thiourea, 1-(adamantane-1-carbonyl)-3-tert-butyl-, N-(1-ADAMANTYLCARBONYL)-N'-(TERT-BUTYL)THIOUREA, A3867/0164268, adamantanyl-N-{[(tert-butyl)amino]thioxomethyl}carboxamide
| Molecular Formula | C16H26N2OS |
|---|---|
| Molecular Weight | 294.18 g/mol |
| LogP | 2.992 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.17657 |
| Heavy Atoms | 20 |
| Complexity | 402.96384 |
Chemical Identifiers
| CAS Number | 36997-95-2 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC(=O)C12CC3CC(C1)CC(C3)C2 |
Product Overview
N-(tert-butylcarbamothioyl)adamantane-1-carboxamide (CAS 36997-95-2), with molecular formula C16H26N2OS and molecular weight 294.18 g/mol. IUPAC: N-(tert-butylcarbamothioyl)adamantane-1-carboxamide.
Chemical Property Profile of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide
Property Insights of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide
The XLogP value of 2.992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butylcarbamothioyl)adamantane-1-carboxamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-(tert-butylcarbamothioyl)adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butylcarbamothioyl)adamantane-1-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 N-(tert-butylcarbamothioyl)adamantane-1-carboxamide?
The CAS number of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide is 36997-95-2.
What is the molecular formula of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide?
The molecular formula of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide is C16H26N2OS.
What is the molecular weight of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide?
The molecular weight of N-(tert-butylcarbamothioyl)adamantane-1-carboxamide is 294.18 g/mol.
Where can I buy N-(tert-butylcarbamothioyl)adamantane-1-carboxamide?
You can request a quote for N-(tert-butylcarbamothioyl)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 N-(tert-butylcarbamothioyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butylcarbamothioyl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.