1-(Adamantane-1-carbonylamino)-3-butylthiourea
TL;DR: 1-(Adamantane-1-carbonylamino)-3-butylthiourea (CAS 139158-43-3) is a chemical compound with molecular formula C16H27N3OS and molecular weight 309.18747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(adamantane-1-carbonylamino)-3-butylthiourea
Also Known As: 1-(adamantane-1-carbonylamino)-3-butylthiourea, BIM-0042114.P001, 1-(1-adamantylcarbonylamino)-3-butyl-thiourea, 1-(adamantane-1-carbonylamino)-3-butyl-thiourea, 2-(1-adamantylcarbonyl)-N-butylhydrazinecarbothioamide
Technical Specifications
| Molecular Formula | C16H27N3OS |
| Molecular Weight | 309.18747 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.18747 Da |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
| SMILES | CCCCNC(=S)NNC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | ZDMNYPOYATVJFJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Adamantane-1-carbonylamino)-3-butylthiourea
Property Insights of 1-(Adamantane-1-carbonylamino)-3-butylthiourea
The XLogP value of 3.3 indicates that 1-(Adamantane-1-carbonylamino)-3-butylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Adamantane-1-carbonylamino)-3-butylthiourea. Following Lipinski's Rule of Five, 1-(Adamantane-1-carbonylamino)-3-butylthiourea has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Adamantane-1-carbonylamino)-3-butylthiourea?
The CAS number of 1-(Adamantane-1-carbonylamino)-3-butylthiourea is 139158-43-3.
What is the molecular formula of 1-(Adamantane-1-carbonylamino)-3-butylthiourea?
The molecular formula of 1-(Adamantane-1-carbonylamino)-3-butylthiourea is C16H27N3OS.
What is the molecular weight of 1-(Adamantane-1-carbonylamino)-3-butylthiourea?
The molecular weight of 1-(Adamantane-1-carbonylamino)-3-butylthiourea is 309.18747 g/mol.
Where can I buy 1-(Adamantane-1-carbonylamino)-3-butylthiourea?
You can request a quote for 1-(Adamantane-1-carbonylamino)-3-butylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Adamantane-1-carbonylamino)-3-butylthiourea?
Yes, CoreyChem provides custom synthesis services for 1-(Adamantane-1-carbonylamino)-3-butylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.