![2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine structure](/static/products/7598/7598-12-1.webp)
2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine
TL;DR: 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine (CAS 7598-12-1) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine
Also Known As: 2-(2-nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine, 2-(2-Nitrophenyl)-2,3,4a,5,6,10b-hexahydro-1H-naphtho[1,2-e][1,3]oxazine
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 7598-12-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3C1OCN(C3)C4=CC=CC=C4[N+](=O)[O-] |
| InChIKey | MLYHCNPEIZJGCX-UHFFFAOYSA-N |
Product Overview
2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine (CAS 7598-12-1), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 2-(2-nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine.
Chemical Property Profile of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine
Property Insights of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine
The XLogP value of 3.8 indicates that 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine 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 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine?
The CAS number of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine is 7598-12-1.
What is the molecular formula of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine?
The molecular formula of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine is C18H18N2O3.
What is the molecular weight of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine?
The molecular weight of 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine is 310.13 g/mol.
Where can I buy 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine?
You can request a quote for 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][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 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)-1,3,4a,5,6,10b-hexahydrobenzo[f][1,3]benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.