2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride
TL;DR: 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride (CAS 13591-48-5) is a chemical compound with molecular formula C6H12BrClN2O3 and molecular weight 273.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-ethyl-5-nitro-1,3-oxazinane;hydrochloride
Also Known As: 5-Bromo-5-nitro-3-ethyltetrahydro-1,3-oxazine hydrochloride, 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride, 5-Bromo-3-ethyl-5-nitrotetrahydro-2H-1,3-oxazine hydrochloride, 5-bromo-3-ethyl-5-nitro-1,3-oxazinane hydrochloride, 5-Bromo-3-ethyl-5-nitro-1,3-oxazinane--hydrogen chloride (1/1)
| Molecular Formula | C6H12BrClN2O3 |
|---|---|
| Molecular Weight | 273.97 g/mol |
| LogP | 1.0857 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.972 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 13591-48-5 |
|---|---|
| SMILES | CCN1CC(COC1)([N+](=O)[O-])Br.Cl |
| InChIKey | IIUILEPTZUGBJI-UHFFFAOYSA-N |
Product Overview
2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride (CAS 13591-48-5), with molecular formula C6H12BrClN2O3 and molecular weight 273.97 g/mol. IUPAC: 5-bromo-3-ethyl-5-nitro-1,3-oxazinane;hydrochloride.
Chemical Property Profile of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride
Property Insights of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride
The XLogP value of 1.0857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride. With a topological polar surface area (TPSA) of 58.3 Ų, 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride 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-ethyl-5-nitro-, hydrochloride?
The CAS number of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride is 13591-48-5.
What is the molecular formula of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride?
The molecular formula of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride is C6H12BrClN2O3.
What is the molecular weight of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride?
The molecular weight of 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride is 273.97 g/mol.
Where can I buy 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride?
You can request a quote for 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride 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-ethyl-5-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine, tetrahydro-5-bromo-3-ethyl-5-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.