N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
TL;DR: N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine (CAS 799791-07-4) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-N-(3,4-dimethylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
Also Known As: 5-N-(3,4-dimethylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine, N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine, N6-(3,4-dimethylphenyl)-N4-ethyl-7-nitrobenzo[c][1,2,5]oxadiazole-4,6-diamine
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 3.92324 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 919.46204 |
Chemical Identifiers
| CAS Number | 799791-07-4 |
|---|---|
| SMILES | CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC(=C(C=C3)C)C |
Product Overview
N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine (CAS 799791-07-4), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 5-N-(3,4-dimethylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine.
Chemical Property Profile of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Property Insights of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
The XLogP value of 3.92324 indicates that N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine. Following Lipinski's Rule of Five, N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine has 2 hydrogen bond donor(s) and 7 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~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
The CAS number of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is 799791-07-4.
What is the molecular formula of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
The molecular formula of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is C16H17N5O3.
What is the molecular weight of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
The molecular weight of N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is 327.13 g/mol.
Where can I buy N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
You can request a quote for N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~6~-(3,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.