6-nitro-3,4-dihydro-2H-1,4-benzoxazine
TL;DR: 6-nitro-3,4-dihydro-2H-1,4-benzoxazine (CAS 28226-22-4) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3,4-dihydro-2H-1,4-benzoxazine
Also Known As: 6-nitro-3,4-dihydro-2H-1,4-benzoxazine, 6-NITRO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE, 3-AminomethylpyridineN-oxide, 6-nitro-2,3-dihydrobenz-1,4-oxazine, 2H-1,4-Benzoxazine,3,4-dihydro-6-nitro-
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.3991 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 351.24243 |
Chemical Identifiers
| CAS Number | 28226-22-4 |
|---|---|
| SMILES | C1COC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
6-nitro-3,4-dihydro-2H-1,4-benzoxazine (CAS 28226-22-4), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 6-nitro-3,4-dihydro-2H-1,4-benzoxazine.
Chemical Property Profile of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine
Property Insights of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine
The XLogP value of 1.3991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-3,4-dihydro-2H-1,4-benzoxazine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-3,4-dihydro-2H-1,4-benzoxazine. Following Lipinski's Rule of Five, 6-nitro-3,4-dihydro-2H-1,4-benzoxazine 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 6-nitro-3,4-dihydro-2H-1,4-benzoxazine?
The CAS number of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine is 28226-22-4.
What is the molecular formula of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine?
The molecular formula of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine is C8H8N2O3.
What is the molecular weight of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine?
The molecular weight of 6-nitro-3,4-dihydro-2H-1,4-benzoxazine is 180.05 g/mol.
Where can I buy 6-nitro-3,4-dihydro-2H-1,4-benzoxazine?
You can request a quote for 6-nitro-3,4-dihydro-2H-1,4-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-3,4-dihydro-2H-1,4-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-3,4-dihydro-2H-1,4-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.