![N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea structure](/static/products/8204/82040-93-5.webp)
N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea
TL;DR: N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea (CAS 82040-93-5) is a chemical compound with molecular formula C16H27N3O8 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]urea
Also Known As: N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea, 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]urea, N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(beta-D-glucopyranosyloxy)methyl]-N-methylurea, Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-N-((beta-D-glucopyranosyloxy)methyl)-N-methyl-
| Molecular Formula | C16H27N3O8 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1798 |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 82040-93-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NO1)NC(=O)N(C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | HUMSZDCIAHFLOR-LNNRFACYSA-N |
Product Overview
N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea (CAS 82040-93-5), with molecular formula C16H27N3O8 and molecular weight 389.18 g/mol. IUPAC: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]urea.
Chemical Property Profile of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea
Property Insights of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea
The XLogP value of -0.6 indicates that N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea has 5 hydrogen bond donor(s) and 9 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'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea?
The CAS number of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea is 82040-93-5.
What is the molecular formula of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea?
The molecular formula of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea is C16H27N3O8.
What is the molecular weight of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea?
The molecular weight of N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea is 389.18 g/mol.
Where can I buy N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea?
You can request a quote for N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea?
Yes, KEHONG BIO provides custom synthesis services for N'-(5-tert-Butyl-1,2-oxazol-3(2H)-ylidene)-N-[(hexopyranosyloxy)methyl]-N-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.