6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 844459-64-9) is a chemical compound with molecular formula C19H22ClNO and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-[(4-chlorophenyl)methyl]-2,4-dihydro-1,3-benzoxazine
Also Known As: 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine, 6-(tert-butyl)-3-(4-chlorobenzyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine, 6-tert-butyl-3-[(4-chlorophenyl)methyl]-2,4-dihydro-1,3-benzoxazine, 6-TERT-BUTYL-3-[(4-CHLOROPHENYL)METHYL]-3,4-DIHYDRO-2H-1,3-BENZOXAZINE, 9-[(4-chlorophenyl)methyl]-3-tert-butyl-7-oxa-9-azabicyclo[4.4.0]deca-2,4,11-triene
| Molecular Formula | C19H22ClNO |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 4.9896 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.13898 |
| Heavy Atoms | 22 |
| Complexity | 658.1257 |
Chemical Identifiers
| CAS Number | 844459-64-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCN(C2)CC3=CC=C(C=C3)Cl |
Product Overview
6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 844459-64-9), with molecular formula C19H22ClNO and molecular weight 315.14 g/mol. IUPAC: 6-tert-butyl-3-[(4-chlorophenyl)methyl]-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 4.9896 indicates that 6-tert-butyl-3-(4-chlorobenzyl)-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 12.47 Ų, 6-tert-butyl-3-(4-chlorobenzyl)-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-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine has 0 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 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine is 844459-64-9.
What is the molecular formula of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine is C19H22ClNO.
What is the molecular weight of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine is 315.14 g/mol.
Where can I buy 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 6-tert-butyl-3-(4-chlorobenzyl)-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-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.