1-Phenyl-9-thioureido-3,6-diazahomoadamantane
TL;DR: 1-Phenyl-9-thioureido-3,6-diazahomoadamantane (CAS 153464-71-2) is a chemical compound with molecular formula C16H22N4S and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)thiourea
Also Known As: 1-Phenyl-9-thioureido-3,6-diazahomoadamantane, N-(1-Phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yl)thiourea, 1-(1-phenyl-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-yl)thiourea
| Molecular Formula | C16H22N4S |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 0.3872 |
| Topological Polar Surface Area | 44.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.15652 |
| Heavy Atoms | 21 |
| Complexity | 530.4678 |
Chemical Identifiers
| CAS Number | 153464-71-2 |
|---|---|
| SMILES | C1CN2CC3CN1CC(C2)(C3NC(=S)N)C4=CC=CC=C4 |
Product Overview
1-Phenyl-9-thioureido-3,6-diazahomoadamantane (CAS 153464-71-2), with molecular formula C16H22N4S and molecular weight 302.16 g/mol. IUPAC: (1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)thiourea.
Chemical Property Profile of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane
Property Insights of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane
The XLogP value of 0.3872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-9-thioureido-3,6-diazahomoadamantane. With a topological polar surface area (TPSA) of 44.53 Ų, 1-Phenyl-9-thioureido-3,6-diazahomoadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-9-thioureido-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
Frequently Asked Questions
What is the CAS number of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane?
The CAS number of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane is 153464-71-2.
What is the molecular formula of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane?
The molecular formula of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane is C16H22N4S.
What is the molecular weight of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane?
The molecular weight of 1-Phenyl-9-thioureido-3,6-diazahomoadamantane is 302.16 g/mol.
Where can I buy 1-Phenyl-9-thioureido-3,6-diazahomoadamantane?
You can request a quote for 1-Phenyl-9-thioureido-3,6-diazahomoadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-9-thioureido-3,6-diazahomoadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-9-thioureido-3,6-diazahomoadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.