1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
TL;DR: 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea (CAS 87170-67-0) is a chemical compound with molecular formula C19H34N2S and molecular weight 322.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
Also Known As: 1-(2-adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea, N-(Adamantan-2-yl)-N'-(2,4,4-trimethylpentan-2-yl)thiourea
| Molecular Formula | C19H34N2S |
|---|---|
| Molecular Weight | 322.24 g/mol |
| LogP | 4.49 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.24426 |
| Heavy Atoms | 22 |
| Complexity | 407.20636 |
Chemical Identifiers
| CAS Number | 87170-67-0 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC(=S)NC1C2CC3CC(C2)CC1C3 |
Product Overview
1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea (CAS 87170-67-0), with molecular formula C19H34N2S and molecular weight 322.24 g/mol. IUPAC: 1-(2-adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea.
Chemical Property Profile of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
Property Insights of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
The XLogP value of 4.49 indicates that 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea has 2 hydrogen bond donor(s) and 1 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-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
The CAS number of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea is 87170-67-0.
What is the molecular formula of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
The molecular formula of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea is C19H34N2S.
What is the molecular weight of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
The molecular weight of 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea is 322.24 g/mol.
Where can I buy 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
You can request a quote for 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Adamantyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.