![1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea structure](/static/products/5213/521327-75-3.webp)
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea (CAS 521327-75-3) is a chemical compound with molecular formula C21H28N2O2S and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea, 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea, [(adamantanylethyl)amino][(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)amino]methan e-1-thione, 1-(1-((1s,3s)-adamantan-1-yl)ethyl)-3-(benzo[d][1,3]dioxol-5-ylmethyl)thiourea
| Molecular Formula | C21H28N2O2S |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 3.9843 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.18716 |
| Heavy Atoms | 26 |
| Complexity | 684.67847 |
Chemical Identifiers
| CAS Number | 521327-75-3 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea (CAS 521327-75-3), with molecular formula C21H28N2O2S and molecular weight 372.19 g/mol. IUPAC: 1-[1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea
The XLogP value of 3.9843 indicates that 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea 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-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea is 521327-75-3.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea is C21H28N2O2S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea is 372.19 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.