6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 334764-65-7) is a chemical compound with molecular formula C19H23NO and molecular weight 281.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
Also Known As: NCIOpen2_004898, J1.444.109C, 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine, 6-tert-butyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine, 3-(4-Methylphenyl)-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine
| Molecular Formula | C19H23NO |
|---|---|
| Molecular Weight | 281.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.17798 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 334764-65-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C(C)(C)C)OC2 |
| InChIKey | YRVZBJLTTQAXOG-UHFFFAOYSA-N |
Product Overview
6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 334764-65-7), with molecular formula C19H23NO and molecular weight 281.18 g/mol. IUPAC: 6-tert-butyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 5.4 indicates that 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is 334764-65-7.
What is the molecular formula of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is C19H23NO.
What is the molecular weight of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is 281.18 g/mol.
Where can I buy 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.