1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea
TL;DR: 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea (CAS 5753-86-6) is a chemical compound with molecular formula C16H28N4O and molecular weight 292.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-(4-methylpiperazin-1-yl)urea
Also Known As: 1-(1-adamantyl)-3-(4-methylpiperazin-1-yl)urea, BIM-0031702.P001, N-1-adamantyl-N'-(4-methyl-1-piperazinyl)urea, N-(Adamantan-1-yl)-N'-(4-methylpiperazin-1-yl)urea
| Molecular Formula | C16H28N4O |
|---|---|
| Molecular Weight | 292.23 g/mol |
| LogP | 1.4168 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.22632 |
| Heavy Atoms | 21 |
| Complexity | 381.21582 |
Chemical Identifiers
| CAS Number | 5753-86-6 |
|---|---|
| SMILES | CN1CCN(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 |
Product Overview
1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea (CAS 5753-86-6), with molecular formula C16H28N4O and molecular weight 292.23 g/mol. IUPAC: 1-(1-adamantyl)-3-(4-methylpiperazin-1-yl)urea.
Chemical Property Profile of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea
Property Insights of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea
The XLogP value of 1.4168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea. With a topological polar surface area (TPSA) of 47.61 Ų, 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea 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-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea?
The CAS number of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea is 5753-86-6.
What is the molecular formula of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea?
The molecular formula of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea is C16H28N4O.
What is the molecular weight of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea?
The molecular weight of 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea is 292.23 g/mol.
Where can I buy 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea?
You can request a quote for 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-3-(4-methylpiperazin-1-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.