N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
TL;DR: N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea (CAS 861210-72-2) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea
Also Known As: 3-tert-butyl-1-(2-methyl-1,3-benzoxazol-6-yl)urea, N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea, 1-tert-butyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea, 2W-0869
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 3.05622 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 581.42413 |
Chemical Identifiers
| CAS Number | 861210-72-2 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC(C)(C)C |
Product Overview
N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea (CAS 861210-72-2), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: 1-tert-butyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea.
Chemical Property Profile of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
Property Insights of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
The XLogP value of 3.05622 indicates that N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea. Following Lipinski's Rule of Five, N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea 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 N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea?
The CAS number of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea is 861210-72-2.
What is the molecular formula of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea?
The molecular formula of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea is C13H17N3O2.
What is the molecular weight of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea?
The molecular weight of N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea is 247.13 g/mol.
Where can I buy N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea?
You can request a quote for N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-N'-(2-methyl-1,3-benzoxazol-6-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.