![2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide structure](/static/products/424/424809-31-4.png)
2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide
TL;DR: 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide (CAS 424809-31-4) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
Also Known As: ChemDiv3_004204, IDI1_022114, BRD-K73321346-001-01-8, 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide, 3-ethyl-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 1.88822 |
| Topological Polar Surface Area | 50.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 463.06705 |
Chemical Identifiers
| CAS Number | 424809-31-4 |
|---|---|
| SMILES | CCC1=C(N(C2=C([N+]1=O)CCCCC2)[O-])C |
Product Overview
2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide (CAS 424809-31-4), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 3-ethyl-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide.
Chemical Property Profile of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide
Property Insights of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide
The XLogP value of 1.88822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide. With a topological polar surface area (TPSA) of 50.96 Ų, 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide has 0 hydrogen bond donor(s) and 2 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-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide?
The CAS number of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide is 424809-31-4.
What is the molecular formula of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide?
The molecular formula of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide is C12H18N2O2.
What is the molecular weight of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide?
The molecular weight of 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide is 222.14 g/mol.
Where can I buy 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide?
You can request a quote for 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.