4-Methylcinnoline 1,2-dioxide
TL;DR: 4-Methylcinnoline 1,2-dioxide (CAS 5004-33-1) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxidocinnolin-2-ium 2-oxide
Also Known As: 4-Methylcinnoline 1,2-dioxide, 4-Methylcinnoline1,2-dioxide, Cinnoline, 4-methyl-, 1,2-dioxide, 4-methyl-1-oxidocinnolin-2-ium 2-oxide, 4-methylcinnoline-1,2-diium-1,2-bis(olate)
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5004-33-1 |
|---|---|
| SMILES | CC1=C[N+](=O)N(C2=CC=CC=C12)[O-] |
| InChIKey | XKZGRSHXUXOVHE-UHFFFAOYSA-N |
Product Overview
4-Methylcinnoline 1,2-dioxide (CAS 5004-33-1), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 4-methyl-1-oxidocinnolin-2-ium 2-oxide.
Chemical Property Profile of 4-Methylcinnoline 1,2-dioxide
Property Insights of 4-Methylcinnoline 1,2-dioxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcinnoline 1,2-dioxide. With a topological polar surface area (TPSA) of 46.4 Ų, 4-Methylcinnoline 1,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcinnoline 1,2-dioxide has 0 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 4-Methylcinnoline 1,2-dioxide?
The CAS number of 4-Methylcinnoline 1,2-dioxide is 5004-33-1.
What is the molecular formula of 4-Methylcinnoline 1,2-dioxide?
The molecular formula of 4-Methylcinnoline 1,2-dioxide is C9H8N2O2.
What is the molecular weight of 4-Methylcinnoline 1,2-dioxide?
The molecular weight of 4-Methylcinnoline 1,2-dioxide is 176.06 g/mol.
Where can I buy 4-Methylcinnoline 1,2-dioxide?
You can request a quote for 4-Methylcinnoline 1,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcinnoline 1,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcinnoline 1,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.