1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea
TL;DR: 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea (CAS 137339-79-8) is a chemical compound with molecular formula C17H24N4S and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-yl)-3-phenylthiourea
Also Known As: 1-(5,7-dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea, 1-((1r,3r,5r,7r)-5,7-dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea, 1-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-6-yl)-3-phenylthiourea
| Molecular Formula | C17H24N4S |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 1.9565 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.17218 |
| Heavy Atoms | 22 |
| Complexity | 551.58154 |
Chemical Identifiers
| CAS Number | 137339-79-8 |
|---|---|
| SMILES | CC12CN3CC(C1NC(=S)NC4=CC=CC=C4)(CN(C2)C3)C |
Product Overview
1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea (CAS 137339-79-8), with molecular formula C17H24N4S and molecular weight 316.17 g/mol. IUPAC: 1-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-yl)-3-phenylthiourea.
Chemical Property Profile of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea
Property Insights of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea
The XLogP value of 1.9565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea. With a topological polar surface area (TPSA) of 30.54 Ų, 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea has 2 hydrogen bond donor(s) and 3 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-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea?
The CAS number of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea is 137339-79-8.
What is the molecular formula of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea?
The molecular formula of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea is C17H24N4S.
What is the molecular weight of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea?
The molecular weight of 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea is 316.17 g/mol.
Where can I buy 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea?
You can request a quote for 1-(5,7-Dimethyl-1,3-diazaadamantan-6-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-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,7-Dimethyl-1,3-diazaadamantan-6-yl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.