N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 374092-80-5) is a chemical compound with molecular formula C13H8BrClN4O3 and molecular weight 381.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine, N-(3-bromo-4-methylphenyl)-7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C13H8BrClN4O3 |
|---|---|
| Molecular Weight | 381.95 g/mol |
| LogP | 4.59892 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.94684 |
| Heavy Atoms | 22 |
| Complexity | 896.36774 |
Chemical Identifiers
| CAS Number | 374092-80-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])Br |
Product Overview
N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 374092-80-5), with molecular formula C13H8BrClN4O3 and molecular weight 381.95 g/mol. IUPAC: N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 4.59892 indicates that N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine 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 N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine is 374092-80-5.
What is the molecular formula of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine is C13H8BrClN4O3.
What is the molecular weight of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine is 381.95 g/mol.
Where can I buy N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-(3-bromo-4-methylphenyl)-7-chloro-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 N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.