Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-
TL;DR: Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- (CAS 55808-27-0) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-tert-butyl-1,2-oxazol-3-yl)urea
Also Known As: (5-tert-butyl-1,2-oxazol-3-yl)urea, 3-(5-t-butyl-3-isoxazolyl)urea, Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-, 1-(5-(tert-butyl)isoxazol-3-yl)urea, N-(5-tert-Butyl-1,2-oxazol-3-yl)urea
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 1.4627 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 311.4342 |
Chemical Identifiers
| CAS Number | 55808-27-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NO1)NC(=O)N |
Product Overview
Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- (CAS 55808-27-0), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: (5-tert-butyl-1,2-oxazol-3-yl)urea.
Chemical Property Profile of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-
Property Insights of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-
The XLogP value of 1.4627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-. Following Lipinski's Rule of Five, Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- 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 Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-?
The CAS number of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- is 55808-27-0.
What is the molecular formula of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-?
The molecular formula of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- is C8H13N3O2.
What is the molecular weight of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-?
The molecular weight of Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- is 183.10 g/mol.
Where can I buy Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-?
You can request a quote for Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.