1-Tert-butyl-3-(alpha-methylbenzyl)urea
TL;DR: 1-Tert-butyl-3-(alpha-methylbenzyl)urea (CAS 121913-98-2) is a chemical compound with molecular formula C13H20N2O and molecular weight 220.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(1-phenylethyl)urea
Also Known As: 3-tert-butyl-1-(1-phenylethyl)urea, 1-tert-butyl-3-(1-phenylethyl)urea, 1-TERT-BUTYL-3-(ALPHA-METHYLBENZYL)UREA, N-(tert-butyl)-N'-(1-phenylethyl)urea, BRD-A11905255-001-01-4
| Molecular Formula | C13H20N2O |
|---|---|
| Molecular Weight | 220.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.15756 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 121913-98-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)NC(C)(C)C |
| InChIKey | GINDCBFYEUWKKJ-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-3-(alpha-methylbenzyl)urea (CAS 121913-98-2), with molecular formula C13H20N2O and molecular weight 220.16 g/mol. IUPAC: 1-tert-butyl-3-(1-phenylethyl)urea.
Chemical Property Profile of 1-Tert-butyl-3-(alpha-methylbenzyl)urea
Property Insights of 1-Tert-butyl-3-(alpha-methylbenzyl)urea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(alpha-methylbenzyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Tert-butyl-3-(alpha-methylbenzyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(alpha-methylbenzyl)urea 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-Tert-butyl-3-(alpha-methylbenzyl)urea?
The CAS number of 1-Tert-butyl-3-(alpha-methylbenzyl)urea is 121913-98-2.
What is the molecular formula of 1-Tert-butyl-3-(alpha-methylbenzyl)urea?
The molecular formula of 1-Tert-butyl-3-(alpha-methylbenzyl)urea is C13H20N2O.
What is the molecular weight of 1-Tert-butyl-3-(alpha-methylbenzyl)urea?
The molecular weight of 1-Tert-butyl-3-(alpha-methylbenzyl)urea is 220.16 g/mol.
Where can I buy 1-Tert-butyl-3-(alpha-methylbenzyl)urea?
You can request a quote for 1-Tert-butyl-3-(alpha-methylbenzyl)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-(alpha-methylbenzyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(alpha-methylbenzyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.