ZERO/004681
TL;DR: ZERO/004681 (CAS 21677-65-6) is a chemical compound with molecular formula C7H12N4O3 and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]ethanol
Also Known As: ZERO/004681, 2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]ethanol, 2-((1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)amino)ethan-1-ol, 2-[(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)amino]ethanol, 2-[(1,2-dimethyl-4-nitroimidazol-5-yl)amino]ethan-1-ol
| Molecular Formula | C7H12N4O3 |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09094 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 21677-65-6 |
|---|---|
| SMILES | CC1=NC(=C(N1C)NCCO)[N+](=O)[O-] |
| InChIKey | YRIUSIIUDRNFEG-UHFFFAOYSA-N |
Product Overview
ZERO/004681 (CAS 21677-65-6), with molecular formula C7H12N4O3 and molecular weight 200.09 g/mol. IUPAC: 2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]ethanol.
Chemical Property Profile of ZERO/004681
Property Insights of ZERO/004681
The XLogP value of -0.4 indicates that ZERO/004681 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/004681. Following Lipinski's Rule of Five, ZERO/004681 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 ZERO/004681?
The CAS number of ZERO/004681 is 21677-65-6.
What is the molecular formula of ZERO/004681?
The molecular formula of ZERO/004681 is C7H12N4O3.
What is the molecular weight of ZERO/004681?
The molecular weight of ZERO/004681 is 200.09 g/mol.
Where can I buy ZERO/004681?
You can request a quote for ZERO/004681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/004681?
Yes, KEHONG BIO provides custom synthesis services for ZERO/004681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.