2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one
TL;DR: 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one (CAS 58418-25-0) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-3,1-benzoxazin-4-one
Also Known As: 2-(tert-butylamino)-3,1-benzoxazin-4-one, 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one, J2.686.153E, 2-tert-butylamino-benzo[d][1,3]oxazin-4-one, 2-(tert-Butylamino)-4H-3,1-benzooxazine-4-one
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 58418-25-0 |
|---|---|
| SMILES | CC(C)(C)NC1=NC2=CC=CC=C2C(=O)O1 |
| InChIKey | UDVCHANICLJLAL-UHFFFAOYSA-N |
Product Overview
2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one (CAS 58418-25-0), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 2-(tert-butylamino)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one
Property Insights of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 50.7 Ų, 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one has 1 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 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one is 58418-25-0.
What is the molecular formula of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one is C12H14N2O2.
What is the molecular weight of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one is 218.11 g/mol.
Where can I buy 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.