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N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea
TL;DR: N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea (CAS 516455-91-7) is a chemical compound with molecular formula C21H30N2OS and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
Also Known As: N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea, SDCCGSBI-0091033.P001, 1-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)methyl]thiourea, AJ-292/42034713, 1-(4-methoxybenzyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea
| Molecular Formula | C21H30N2OS |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.2642 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.2079 |
| Heavy Atoms | 25 |
| Complexity | 592.00397 |
Chemical Identifiers
| CAS Number | 516455-91-7 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=C(C=C4)OC |
Product Overview
N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea (CAS 516455-91-7), with molecular formula C21H30N2OS and molecular weight 358.21 g/mol. IUPAC: 1-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea
Property Insights of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea
The XLogP value of 4.2642 indicates that N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea has 2 hydrogen bond donor(s) and 2 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 N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea?
The CAS number of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea is 516455-91-7.
What is the molecular formula of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea?
The molecular formula of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea is C21H30N2OS.
What is the molecular weight of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea?
The molecular weight of N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea is 358.21 g/mol.
Where can I buy N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea?
You can request a quote for N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1-adamantyl)ethyl]-N'-(4-methoxybenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.