1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea
TL;DR: 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea (CAS 68835-53-0) is a chemical compound with molecular formula C14H19N5S and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea
Also Known As: 1-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl)-3-phenylthiourea, N-phenyl-N'-1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylthiourea, 1-phenyl-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea, (phenylamino)[(3,5,7-triazatricyclo[3.3.1.1<3,7>]decyl)amino]methane-1-thione
| Molecular Formula | C14H19N5S |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 0.5311 |
| Topological Polar Surface Area | 33.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.1361 |
| Heavy Atoms | 20 |
| Complexity | 482.27115 |
Chemical Identifiers
| CAS Number | 68835-53-0 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)NC(=S)NC4=CC=CC=C4 |
Product Overview
1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea (CAS 68835-53-0), with molecular formula C14H19N5S and molecular weight 289.14 g/mol. IUPAC: 1-phenyl-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea.
Chemical Property Profile of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea
Property Insights of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea
The XLogP value of 0.5311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea. With a topological polar surface area (TPSA) of 33.78 Ų, 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea has 2 hydrogen bond donor(s) and 4 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-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea?
The CAS number of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea is 68835-53-0.
What is the molecular formula of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea?
The molecular formula of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea is C14H19N5S.
What is the molecular weight of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea?
The molecular weight of 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea is 289.14 g/mol.
Where can I buy 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea?
You can request a quote for 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-((1s,3s,5s)-1,3,5-Triazaadamantan-7-yl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.