2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate
TL;DR: 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate (CAS 1052407-70-1) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-8-aza-1-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;hydrate
Also Known As: 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate, 1,8-diazatricyclo[6.2.2.0<2,7>]dodeca-2(7),3,5-trien-1-ol, oxamethane
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 0.5006 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 1052407-70-1 |
|---|---|
| SMILES | C1C[N+]2(CCN1C3=CC=CC=C32)[O-].O |
| InChIKey | MBPMTECXEYODST-UHFFFAOYSA-N |
Product Overview
2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate (CAS 1052407-70-1), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 1-oxido-8-aza-1-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;hydrate.
Chemical Property Profile of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate
Property Insights of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate
The XLogP value of 0.5006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate. With a topological polar surface area (TPSA) of 22.3 Ų, 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate has 1 hydrogen bond donor(s) and 3 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 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate?
The CAS number of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate is 1052407-70-1.
What is the molecular formula of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate?
The molecular formula of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate is C10H14N2O2.
What is the molecular weight of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate?
The molecular weight of 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate is 194.11 g/mol.
Where can I buy 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate?
You can request a quote for 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dihydro-1H-1,4-ethanoquinoxaline 1-oxide hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.