3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine
TL;DR: 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine (CAS 32278-16-3) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
Also Known As: butyldihydrobenzoxazine, 3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine, 3-(tert-butyl)-3,4-dihydro-2H-1,4-benzoxazine, 3-(tert-Butyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine, 3,4-Dihydro-3-tert.butyl-1.4-benzoxazin
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.9056 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 327.33878 |
Chemical Identifiers
| CAS Number | 32278-16-3 |
|---|---|
| SMILES | CC(C)(C)C1COC2=CC=CC=C2N1 |
Product Overview
3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine (CAS 32278-16-3), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine.
Chemical Property Profile of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine
Property Insights of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine
The XLogP value of 2.9056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine. With a topological polar surface area (TPSA) of 21.26 Ų, 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine has 1 hydrogen bond donor(s) and 2 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 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine?
The CAS number of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine is 32278-16-3.
What is the molecular formula of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine?
The molecular formula of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine is C12H17NO.
What is the molecular weight of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine?
The molecular weight of 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine is 191.13 g/mol.
Where can I buy 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine?
You can request a quote for 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-3,4-dihydro-2H-1,4-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.