2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-
TL;DR: 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- (CAS 6475-43-0) is a chemical compound with molecular formula C11H13BrN2O3 and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-bromo-5-nitro-1,3-oxazinane
Also Known As: 3-benzyl-5-bromo-5-nitro-1,3-oxazinane, 5-Bromo-5-nitro-3-benzyltetrahydro-1,3-oxazine, 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-, 3-Benzyl-5-bromo-5-nitrotetrahydro-2H-1,3-oxazine, RefChem:1065000
| Molecular Formula | C11H13BrN2O3 |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.01096 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6475-43-0 |
|---|---|
| SMILES | C1C(COCN1CC2=CC=CC=C2)([N+](=O)[O-])Br |
| InChIKey | BKUHPQUEULSXTB-UHFFFAOYSA-N |
Product Overview
2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- (CAS 6475-43-0), with molecular formula C11H13BrN2O3 and molecular weight 300.01 g/mol. IUPAC: 3-benzyl-5-bromo-5-nitro-1,3-oxazinane.
Chemical Property Profile of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-
Property Insights of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-. With a topological polar surface area (TPSA) of 58.3 Ų, 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- has 0 hydrogen bond donor(s) and 4 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 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-?
The CAS number of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- is 6475-43-0.
What is the molecular formula of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-?
The molecular formula of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- is C11H13BrN2O3.
What is the molecular weight of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-?
The molecular weight of 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- is 300.01 g/mol.
Where can I buy 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-?
You can request a quote for 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine, tetrahydro-3-benzyl-5-bromo-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.