N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine
TL;DR: N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine (CAS 337908-65-3) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine
Also Known As: N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine, N-tert-Butyl-5-nitrobenzo[d]oxazol-2-amine, N-tert-Butyl-5-nitrobenzoxazole-2-amine, N-(tert-Butyl)-5-nitrobenzoxazole-2-amine, J3.214.165J
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 2.9464 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 568.83563 |
Chemical Identifiers
| CAS Number | 337908-65-3 |
|---|---|
| SMILES | CC(C)(C)NC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine (CAS 337908-65-3), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine.
Chemical Property Profile of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine
Property Insights of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine
The XLogP value of 2.9464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine. Following Lipinski's Rule of Five, N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine has 1 hydrogen bond donor(s) and 5 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-5-nitro-1,3-benzoxazol-2-amine?
The CAS number of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine is 337908-65-3.
What is the molecular formula of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine?
The molecular formula of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine is C11H13N3O3.
What is the molecular weight of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine?
The molecular weight of N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine is 235.10 g/mol.
Where can I buy N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine?
You can request a quote for N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine 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-5-nitro-1,3-benzoxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.