5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
TL;DR: 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine (CAS 799802-26-9) is a chemical compound with molecular formula C15H14ClN5O3 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
Also Known As: 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine, N~6~-(5-chloro-2-methylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine, N6-(5-chloro-2-methylphenyl)-N4-ethyl-7-nitrobenzo[c][1,2,5]oxadiazole-4,6-diamine
| Molecular Formula | C15H14ClN5O3 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 4.26822 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.07852 |
| Heavy Atoms | 24 |
| Complexity | 924.8587 |
Chemical Identifiers
| CAS Number | 799802-26-9 |
|---|---|
| SMILES | CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=C(C=CC(=C3)Cl)C |
Product Overview
5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine (CAS 799802-26-9), with molecular formula C15H14ClN5O3 and molecular weight 347.08 g/mol. IUPAC: 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine.
Chemical Property Profile of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
Property Insights of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
The XLogP value of 4.26822 indicates that 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-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 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine. Following Lipinski's Rule of Five, 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-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 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
The CAS number of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine is 799802-26-9.
What is the molecular formula of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
The molecular formula of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine is C15H14ClN5O3.
What is the molecular weight of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
The molecular weight of 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine is 347.08 g/mol.
Where can I buy 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
You can request a quote for 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-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-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-N-(5-chloro-2-methylphenyl)-7-N-ethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.