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1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea
TL;DR: 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea (CAS 521327-72-0) is a chemical compound with molecular formula C20H28N2S and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1-adamantyl)ethyl]-3-benzylthiourea
Also Known As: SDCCGSBI-0090923.P001, 1-[1-(1-adamantyl)ethyl]-3-benzylthiourea, N-[1-(1-adamantyl)ethyl]-N'-benzylthiourea, 1-benzyl-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea, [(adamantanylethyl)amino][benzylamino]methane-1-thione
| Molecular Formula | C20H28N2S |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 4.2556 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.19733 |
| Heavy Atoms | 23 |
| Complexity | 532.98 |
Chemical Identifiers
| CAS Number | 521327-72-0 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=CC=C4 |
Product Overview
1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea (CAS 521327-72-0), with molecular formula C20H28N2S and molecular weight 328.20 g/mol. IUPAC: 1-[1-(1-adamantyl)ethyl]-3-benzylthiourea.
Chemical Property Profile of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea
Property Insights of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea
The XLogP value of 4.2556 indicates that 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea 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-[1-(1-Adamantyl)ethyl]-3-benzylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea 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-[1-(1-Adamantyl)ethyl]-3-benzylthiourea?
The CAS number of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea is 521327-72-0.
What is the molecular formula of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea?
The molecular formula of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea is C20H28N2S.
What is the molecular weight of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea?
The molecular weight of 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea is 328.20 g/mol.
Where can I buy 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea?
You can request a quote for 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(1-Adamantyl)ethyl]-3-benzylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.