1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole
TL;DR: 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole (CAS 64623-45-6) is a chemical compound with molecular formula C13H11N5O3S2 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[2-(pyridin-2-yldisulfanyl)ethyl]-2,1,3-benzoxadiazol-7-amine
Also Known As: N-Apdnd, 1.3<2H>-phenalenedione, 4-Benzofurazanamine, 7-nitro-N-(2-(2-pyridinyldithio)ethyl)-, 4-nitro-N-[2-(pyridin-2-yldisulfanyl)ethyl]-2,1,3-benzoxadiazol-7-amine, 1,4-(N-2-Aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole
| Molecular Formula | C13H11N5O3S2 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.03033 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 64623-45-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)SSCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | HYSMRQGFWZUAOC-UHFFFAOYSA-N |
Product Overview
1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole (CAS 64623-45-6), with molecular formula C13H11N5O3S2 and molecular weight 349.03 g/mol. IUPAC: 4-nitro-N-[2-(pyridin-2-yldisulfanyl)ethyl]-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole
Property Insights of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole. The TPSA of 160.0 Ų indicates high polarity, suggesting 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole has 1 hydrogen bond donor(s) and 9 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 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole?
The CAS number of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole is 64623-45-6.
What is the molecular formula of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole?
The molecular formula of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole is C13H11N5O3S2.
What is the molecular weight of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole?
The molecular weight of 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole is 349.03 g/mol.
Where can I buy 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole?
You can request a quote for 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole?
Yes, KEHONG BIO provides custom synthesis services for 1,4-(N-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.