![1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea structure](/static/products/6196/6196-45-8.webp)
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea
TL;DR: 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea (CAS 6196-45-8) is a chemical compound with molecular formula C20H29N3O and molecular weight 327.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
Also Known As: BAS 02282349, A2895/0121933, N-(1-azabicyclo[2.2.2]oct-3-yl)-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea, 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea, 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
| Molecular Formula | C20H29N3O |
|---|---|
| Molecular Weight | 327.23 g/mol |
| LogP | 3.3482 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.23105 |
| Heavy Atoms | 24 |
| Complexity | 629.52606 |
Chemical Identifiers
| CAS Number | 6196-45-8 |
|---|---|
| SMILES | CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2CN3CCC2CC3 |
Product Overview
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea (CAS 6196-45-8), with molecular formula C20H29N3O and molecular weight 327.23 g/mol. IUPAC: 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
Chemical Property Profile of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea
Property Insights of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea
The XLogP value of 3.3482 indicates that 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea 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 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea?
The CAS number of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea is 6196-45-8.
What is the molecular formula of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea?
The molecular formula of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea is C20H29N3O.
What is the molecular weight of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea?
The molecular weight of 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea is 327.23 g/mol.
Where can I buy 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea?
You can request a quote for 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-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-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-[1-(3-isopropenylphenyl)-1-methylethyl]-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.