1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane
TL;DR: 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane (CAS 153464-75-6) is a chemical compound with molecular formula C22H26N4S and molecular weight 378.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)thiourea
Also Known As: 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane, 1-phenyl-3-(1-phenyl-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-yl)thiourea, 1-phenyl-3-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yl)thiourea, N-phenyl-N'-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yl)thiourea, (phenylamino)[(1-phenyl-3,6-diazatricyclo[4.3.1.1<3,8>]undec-9-yl)amino]methan e-1-thione
Technical Specifications
| Molecular Formula | C22H26N4S |
| Molecular Weight | 378.1878 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.1878 Da |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
| SMILES | C1CN2CC3CN1CC(C2)(C3NC(=S)NC4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | WZVSEUQOHORVNL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane
Property Insights of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane
The XLogP value of 3.0 indicates that 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane. Following Lipinski's Rule of Five, 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane 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
What is the CAS number of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane?
The CAS number of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane is 153464-75-6.
What is the molecular formula of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane?
The molecular formula of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane is C22H26N4S.
What is the molecular weight of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane?
The molecular weight of 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane is 378.1878 g/mol.
Where can I buy 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane?
You can request a quote for 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane?
Yes, CoreyChem provides custom synthesis services for 1-Phenyl-9-(3-phenylthioureido)-3,6-diazahomoadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.