3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea
TL;DR: 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea (CAS 54979-94-1) 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-(diethylcarbamothioyl)adamantane-1-carboxamide
Also Known As: 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea, BAS 02251999, N-(diethylcarbamothioyl)adamantane-1-carboxamide, adamantanyl-N-[(diethylamino)thioxomethyl]carboxamide, 651-300-9
| Molecular Formula | C16H26N2OS |
|---|---|
| Molecular Weight | 294.18 g/mol |
| LogP | 2.9457 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.17657 |
| Heavy Atoms | 20 |
| Complexity | 381.4157 |
Chemical Identifiers
| CAS Number | 54979-94-1 |
|---|---|
| SMILES | CCN(CC)C(=S)NC(=O)C12CC3CC(C1)CC(C3)C2 |
Product Overview
3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea (CAS 54979-94-1), with molecular formula C16H26N2OS and molecular weight 294.18 g/mol. IUPAC: N-(diethylcarbamothioyl)adamantane-1-carboxamide.
Chemical Property Profile of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea
Property Insights of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea
The XLogP value of 2.9457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea. With a topological polar surface area (TPSA) of 32.34 Ų, 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea has 1 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-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea?
The CAS number of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea is 54979-94-1.
What is the molecular formula of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea?
The molecular formula of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea is C16H26N2OS.
What is the molecular weight of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea?
The molecular weight of 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea is 294.18 g/mol.
Where can I buy 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea?
You can request a quote for 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(Adamantane-1-carbonyl)-1,1-diethyl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.