1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea
TL;DR: 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea (CAS 98992-41-7) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[(3-phenoxyphenyl)methyl]urea
Also Known As: 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea, 1-tert-butyl-3-[(3-phenoxyphenyl)methyl]urea, N-tert-Butyl-N'-[(3-phenoxyphenyl)methyl]urea, 3-[(3-phenoxyphenyl)methyl]-1-tert-butyl-urea
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 98992-41-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | MQAUUXIUUWRLBY-UHFFFAOYSA-N |
Product Overview
1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea (CAS 98992-41-7), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: 1-tert-butyl-3-[(3-phenoxyphenyl)methyl]urea.
Chemical Property Profile of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea
Property Insights of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea
The XLogP value of 3.3 indicates that 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)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-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea?
The CAS number of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea is 98992-41-7.
What is the molecular formula of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea?
The molecular formula of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea is C18H22N2O2.
What is the molecular weight of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea?
The molecular weight of 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea is 298.17 g/mol.
Where can I buy 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea?
You can request a quote for 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-3-((3-phenoxyphenyl)methyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.