6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine
TL;DR: 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine (CAS 39897-21-7) is a chemical compound with molecular formula C9H9Br2NO and molecular weight 304.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dibromo-3-methyl-2,4-dihydro-1,3-benzoxazine
Also Known As: NCIOpen2_009416, 6,8-dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine, J1.228.583C, 2H-1,3-Benzoxazine,6,8-dibromo-3,4-dihydro-3-methyl-, 6,8-dibromo-3-methyl-2,4-dihydro-1,3-benzoxazine
| Molecular Formula | C9H9Br2NO |
|---|---|
| Molecular Weight | 304.91 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.9051 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 39897-21-7 |
|---|---|
| SMILES | CN1CC2=C(C(=CC(=C2)Br)Br)OC1 |
| InChIKey | DHJRZMXVKLNNTF-UHFFFAOYSA-N |
Product Overview
6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine (CAS 39897-21-7), with molecular formula C9H9Br2NO and molecular weight 304.91 g/mol. IUPAC: 6,8-dibromo-3-methyl-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine
Property Insights of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine
The XLogP value of 3.0 indicates that 6,8-Dibromo-3-methyl-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, 6,8-Dibromo-3-methyl-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-methyl-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-methyl-3,4-dihydro-2h-1,3-benzoxazine?
The CAS number of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine is 39897-21-7.
What is the molecular formula of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine?
The molecular formula of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine is C9H9Br2NO.
What is the molecular weight of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine?
The molecular weight of 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine is 304.91 g/mol.
Where can I buy 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine?
You can request a quote for 6,8-Dibromo-3-methyl-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-methyl-3,4-dihydro-2h-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dibromo-3-methyl-3,4-dihydro-2h-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.