C6H6N8O2
TL;DR: C6H6N8O2 (CAS 97288-72-7) is a chemical compound with molecular formula C6H6N8O2 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,13-dioxa-2,4,6,8,10,12,14,16-octazatetracyclo[7.7.0.03,7.011,15]hexadeca-3,6,11,14-tetraene
Also Known As: ZERO/001407, BAS 00858382, NCI60_033712, 4a,5,9a,10-Tetrahydro-4H,9H-[1,2,5]oxadiazolo[3,4-b][1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-E]pyrazine, 1H,3H-[1,2,5]Oxadiazolo[3,4-b][1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-e]pyrazine, 4a,5,8,9a-tetrahydro-
| Molecular Formula | C6H6N8O2 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.06137 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 97288-72-7 |
|---|---|
| SMILES | C12C(NC3=NON=C3N1)NC4=NON=C4N2 |
| InChIKey | AFEZRHMPPQJNLD-UHFFFAOYSA-N |
Product Overview
C6H6N8O2 (CAS 97288-72-7), with molecular formula C6H6N8O2 and molecular weight 222.06 g/mol. IUPAC: 5,13-dioxa-2,4,6,8,10,12,14,16-octazatetracyclo[7.7.0.03,7.011,15]hexadeca-3,6,11,14-tetraene.
Chemical Property Profile of C6H6N8O2
Property Insights of C6H6N8O2
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C6H6N8O2. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C6H6N8O2. Following Lipinski's Rule of Five, C6H6N8O2 has 4 hydrogen bond donor(s) and 10 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 C6H6N8O2?
The CAS number of C6H6N8O2 is 97288-72-7.
What is the molecular formula of C6H6N8O2?
The molecular formula of C6H6N8O2 is C6H6N8O2.
What is the molecular weight of C6H6N8O2?
The molecular weight of C6H6N8O2 is 222.06 g/mol.
Where can I buy C6H6N8O2?
You can request a quote for C6H6N8O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C6H6N8O2?
Yes, KEHONG BIO provides custom synthesis services for C6H6N8O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.