o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-
TL;DR: o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- (CAS 65561-72-0) is a chemical compound with molecular formula C9H7N3O5 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[2-(2-nitroso-3,4-dioxocyclohexa-1,5-dien-1-yl)-2-oxoethyl]nitrous amide
Also Known As: 4-[acetyl]-3-nitroso-1,2-benzoquinone, o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-, 4-[ acetyl]-3-nitroso-1,2-benzoquinone, 3-Nitroso-4-(N-methyl-N-nitrosoamino)acetyl-1,2-benzoquinone, 4-[(Methylnitrosoamino)acetyl]-3-nitroso-1,2-benzoquinone
| Molecular Formula | C9H7N3O5 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.03857 |
| Heavy Atoms | 17 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 65561-72-0 |
|---|---|
| SMILES | CN(CC(=O)C1=C(C(=O)C(=O)C=C1)N=O)N=O |
| InChIKey | USPVUPCOWYPYMH-UHFFFAOYSA-N |
Product Overview
o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- (CAS 65561-72-0), with molecular formula C9H7N3O5 and molecular weight 237.04 g/mol. IUPAC: N-methyl-N-[2-(2-nitroso-3,4-dioxocyclohexa-1,5-dien-1-yl)-2-oxoethyl]nitrous amide.
Chemical Property Profile of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-
Property Insights of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-
The XLogP value of -0.7 indicates that o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-. Following Lipinski's Rule of Five, o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- has 0 hydrogen bond donor(s) and 8 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 o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-?
The CAS number of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- is 65561-72-0.
What is the molecular formula of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-?
The molecular formula of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- is C9H7N3O5.
What is the molecular weight of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-?
The molecular weight of o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- is 237.04 g/mol.
Where can I buy o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-?
You can request a quote for o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for o-Benzoquinone, 4-((methylnitrosamino)acetyl)-3-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.