7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 799795-59-8) is a chemical compound with molecular formula C19H20BrN5O3 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine, 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C19H20BrN5O3 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 5.32592 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.07495 |
| Heavy Atoms | 28 |
| Complexity | 1027.8262 |
Chemical Identifiers
| CAS Number | 799795-59-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-])Br |
Product Overview
7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 799795-59-8), with molecular formula C19H20BrN5O3 and molecular weight 445.07 g/mol. IUPAC: 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 5.32592 indicates that 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 799795-59-8.
What is the molecular formula of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C19H20BrN5O3.
What is the molecular weight of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 445.07 g/mol.
Where can I buy 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.