7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole
TL;DR: 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole (CAS 84458-52-6) is a chemical compound with molecular formula C11H5N7O3S and molecular weight 315.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole
Also Known As: 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole, 6-[(7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)SULFANYL]-7H-PURINE, 9H-PURINE,6-[(7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)THIO]-, 6-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)sulfanyl]-7H-purine
| Molecular Formula | C11H5N7O3S |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 1.9485 |
| Topological Polar Surface Area | 136.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.01746 |
| Heavy Atoms | 22 |
| Complexity | 1011.1934 |
Chemical Identifiers
| CAS Number | 84458-52-6 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)SC3=NC=NC4=C3NC=N4)[N+](=O)[O-] |
Product Overview
7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole (CAS 84458-52-6), with molecular formula C11H5N7O3S and molecular weight 315.02 g/mol. IUPAC: 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole.
Chemical Property Profile of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole
Property Insights of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole
The XLogP value of 1.9485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole. The TPSA of 136.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole 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 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole?
The CAS number of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole is 84458-52-6.
What is the molecular formula of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole?
The molecular formula of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole is C11H5N7O3S.
What is the molecular weight of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole?
The molecular weight of 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole is 315.02 g/mol.
Where can I buy 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole?
You can request a quote for 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.