1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol
TL;DR: 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol (CAS 6951-58-2) is a chemical compound with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,13,14-tetrazatricyclo[6.6.2.02,7]hexadeca-1(14),2,4,6,8,15-hexaene-11,12-dione
Also Known As: [?]diol|1,8-etheno-2,3,6,7-benzotetrazecine-4,5-diol|1,8-ETHENO-2,3,6,7-BENZOTETRAZECINE-4,5-DIONE, 3,6-DIHYDRO-|3,6-Dihydro-1,8-etheno-2,3,6,7-benzotetrazecine-4,5-dione|UNII-RG80777235|RefChem:73767|DTXCID20142239
| Molecular Formula | C12H8N4O2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.7218 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.06473 |
| Heavy Atoms | 18 |
| Complexity | 806.63336 |
Chemical Identifiers
| CAS Number | 6951-58-2 |
|---|---|
| SMILES | C1=CC=C2C3=NNC(=O)C(=O)NN=C(C2=C1)C=C3 |
Product Overview
1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol (CAS 6951-58-2), with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol. IUPAC: 9,10,13,14-tetrazatricyclo[6.6.2.02,7]hexadeca-1(14),2,4,6,8,15-hexaene-11,12-dione.
Chemical Property Profile of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol
Property Insights of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol
The XLogP value of 0.7218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol. Following Lipinski's Rule of Five, 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol has 2 hydrogen bond donor(s) and 4 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 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol?
The CAS number of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol is 6951-58-2.
What is the molecular formula of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol?
The molecular formula of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol is C12H8N4O2.
What is the molecular weight of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol?
The molecular weight of 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol is 240.06 g/mol.
Where can I buy 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol?
You can request a quote for 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Etheno-2,3,6,7-benzotetrazecine-4,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.