3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine
TL;DR: 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine (CAS 349561-46-2) is a chemical compound with molecular formula C14H10BrN3O4 and molecular weight 362.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-5-methoxy-7-nitro-2H-1,2,4-benzoxadiazine
Also Known As: SCPI3, BIM-0014274.P001, 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine, J2.162.268K, 3-(4-bromophenyl)-5-methoxy-7-nitro-2H-1,2,4-benzoxadiazine
| Molecular Formula | C14H10BrN3O4 |
|---|---|
| Molecular Weight | 362.99 g/mol |
| LogP | 3.3412 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.98547 |
| Heavy Atoms | 22 |
| Complexity | 774.4026 |
Chemical Identifiers
| CAS Number | 349561-46-2 |
|---|---|
| SMILES | COC1=CC(=CC2=C1N=C(NO2)C3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine (CAS 349561-46-2), with molecular formula C14H10BrN3O4 and molecular weight 362.99 g/mol. IUPAC: 3-(4-bromophenyl)-5-methoxy-7-nitro-2H-1,2,4-benzoxadiazine.
Chemical Property Profile of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine
Property Insights of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine
The XLogP value of 3.3412 indicates that 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine has 1 hydrogen bond donor(s) and 6 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 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine?
The CAS number of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine is 349561-46-2.
What is the molecular formula of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine?
The molecular formula of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine is C14H10BrN3O4.
What is the molecular weight of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine?
The molecular weight of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine is 362.99 g/mol.
Where can I buy 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine?
You can request a quote for 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.