6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione
TL;DR: 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione (CAS 154164-30-4) is a chemical compound with molecular formula C11H8ClN5O4 and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
Also Known As: YM 90K hydrochloride, YM90K hydrochloride, YM-90K hydrochloride, YM90KHYDROCHLORIDE, ym 900
| Molecular Formula | C11H8ClN5O4 |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 0.7321 |
| Topological Polar Surface Area | 126.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0265 |
| Heavy Atoms | 21 |
| Complexity | 927.9269 |
Chemical Identifiers
| CAS Number | 154164-30-4 |
|---|---|
| SMILES | C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-].Cl |
Product Overview
6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione (CAS 154164-30-4), with molecular formula C11H8ClN5O4 and molecular weight 309.03 g/mol. IUPAC: 6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride.
Chemical Property Profile of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione
Property Insights of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione
The XLogP value of 0.7321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione. The TPSA of 126.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione. Following Lipinski's Rule of Five, 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione has 2 hydrogen bond donor(s) and 5 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 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione?
The CAS number of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione is 154164-30-4.
What is the molecular formula of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione?
The molecular formula of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione is C11H8ClN5O4.
What is the molecular weight of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione?
The molecular weight of 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione is 309.03 g/mol.
Where can I buy 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione?
You can request a quote for 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.