2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide
TL;DR: 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide (CAS 13591-47-4) is a chemical compound with molecular formula C5H10Br2N2O3 and molecular weight 303.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-methyl-5-nitro-1,3-oxazinane;hydrobromide
Also Known As: 5-Bromo-5-nitro-3-methyltetrahydro-1,3-oxazine hydrobromide, 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide, 5-Bromo-3-methyl-5-nitrotetrahydro-2H-1,3-oxazine hydrobromide, 5-bromo-3-methyl-5-nitro-1,3-oxazinane hydrobromide, 5-Bromo-3-methyl-5-nitro-1,3-oxazinane--hydrogen bromide (1/1)
| Molecular Formula | C5H10Br2N2O3 |
|---|---|
| Molecular Weight | 303.91 g/mol |
| LogP | 0.8517 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.90582 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 13591-47-4 |
|---|---|
| SMILES | CN1CC(COC1)([N+](=O)[O-])Br.Br |
| InChIKey | SFKCFBBWEMQDKK-UHFFFAOYSA-N |
Product Overview
2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide (CAS 13591-47-4), with molecular formula C5H10Br2N2O3 and molecular weight 303.91 g/mol. IUPAC: 5-bromo-3-methyl-5-nitro-1,3-oxazinane;hydrobromide.
Chemical Property Profile of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide
Property Insights of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide
The XLogP value of 0.8517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide. With a topological polar surface area (TPSA) of 58.3 Ų, 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide has 1 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-5-bromo-3-methyl-5-nitro-, hydrobromide?
The CAS number of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide is 13591-47-4.
What is the molecular formula of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide?
The molecular formula of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide is C5H10Br2N2O3.
What is the molecular weight of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide?
The molecular weight of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide is 303.91 g/mol.
Where can I buy 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide?
You can request a quote for 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide 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-5-bromo-3-methyl-5-nitro-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine, tetrahydro-5-bromo-3-methyl-5-nitro-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.