5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
TL;DR: 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine (CAS 354148-71-3) is a chemical compound with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
Also Known As: 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine, dimethyl{7-nitro-6-[benzylamino]benzo[2,3-c]1,2,5-oxadiazol-4-yl}amine, N~6~-benzyl-N~4~,N~4~-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine, N6-BENZYL-N4,N4-DIMETHYL-7-NITRO-2,1,3-BENZOXADIAZOLE-4,6-DIAMINE, N6-benzyl-N4,N4-dimethyl-7-nitrobenzo[c][1,2,5]oxadiazole-4,6-diamine
| Molecular Formula | C15H15N5O3 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 2.8091 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1175 |
| Heavy Atoms | 23 |
| Complexity | 844.9446 |
Chemical Identifiers
| CAS Number | 354148-71-3 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3 |
Product Overview
5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine (CAS 354148-71-3), with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol. IUPAC: 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine.
Chemical Property Profile of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
Property Insights of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
The XLogP value of 2.8091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine. Following Lipinski's Rule of Five, 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine has 1 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 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
The CAS number of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine is 354148-71-3.
What is the molecular formula of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
The molecular formula of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine is C15H15N5O3.
What is the molecular weight of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
The molecular weight of 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine is 313.12 g/mol.
Where can I buy 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
You can request a quote for 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-N-benzyl-7-N,7-N-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.