6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 478040-89-0) is a chemical compound with molecular formula C14H10Br2FNO and molecular weight 384.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dibromo-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
Also Known As: 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine, 6,8-dibromo-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine, 3R-0709
| Molecular Formula | C14H10Br2FNO |
|---|---|
| Molecular Weight | 384.91 g/mol |
| LogP | 4.7072 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.91132 |
| Heavy Atoms | 19 |
| Complexity | 615.5882 |
Chemical Identifiers
| CAS Number | 478040-89-0 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Br)Br)OCN1C3=CC=C(C=C3)F |
Product Overview
6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 478040-89-0), with molecular formula C14H10Br2FNO and molecular weight 384.91 g/mol. IUPAC: 6,8-dibromo-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 4.7072 indicates that 6,8-dibromo-3-(4-fluorophenyl)-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, 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dibromo-3-(4-fluorophenyl)-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 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine is 478040-89-0.
What is the molecular formula of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine is C14H10Br2FNO.
What is the molecular weight of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine is 384.91 g/mol.
Where can I buy 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 6,8-dibromo-3-(4-fluorophenyl)-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 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dibromo-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.