![isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate structure](/static/products/172/17280-93-2.png)
isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate
TL;DR: isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate (CAS 17280-93-2) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate, 2-methylpropyl 2-oxo-1,3-benzoxazole-3-carboxylate, 2-methylpropyl 2-oxo-1,3-benzoxazole-3(2H)-carboxylate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.2352 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 593.8166 |
Chemical Identifiers
| CAS Number | 17280-93-2 |
|---|---|
| SMILES | CC(C)COC(=O)N1C2=CC=CC=C2OC1=O |
Product Overview
isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate (CAS 17280-93-2), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-methylpropyl 2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate
Property Insights of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate
The XLogP value of 2.2352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate. Following Lipinski's Rule of Five, isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate has 0 hydrogen bond donor(s) and 4 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 isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate?
The CAS number of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate is 17280-93-2.
What is the molecular formula of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate?
The molecular formula of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate is C12H13NO4.
What is the molecular weight of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate?
The molecular weight of isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate is 235.08 g/mol.
Where can I buy isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate?
You can request a quote for isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 2-oxobenzo[d]oxazole-3(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.