6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 684238-55-9) is a chemical compound with molecular formula C16H16BrNO and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-(2,4-dimethylphenyl)-2,4-dihydro-1,3-benzoxazine
Also Known As: 6-bromo-3-(2,4-dimethylphenyl)-2,4-dihydro-1,3-benzoxazine, 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine, 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine
| Molecular Formula | C16H16BrNO |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.04153 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 684238-55-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2CC3=C(C=CC(=C3)Br)OC2)C |
| InChIKey | ISLQZJZPESBEEP-UHFFFAOYSA-N |
Product Overview
6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 684238-55-9), with molecular formula C16H16BrNO and molecular weight 317.04 g/mol. IUPAC: 6-bromo-3-(2,4-dimethylphenyl)-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 4.8 indicates that 6-bromo-3-(2,4-dimethylphenyl)-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-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-3-(2,4-dimethylphenyl)-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-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is 684238-55-9.
What is the molecular formula of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is C16H16BrNO.
What is the molecular weight of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is 317.04 g/mol.
Where can I buy 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 6-bromo-3-(2,4-dimethylphenyl)-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-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.