1-(2-Nitroimidazol-1-yl)but-3-en-2-ol
TL;DR: 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol (CAS 88876-99-7) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitroimidazol-1-yl)but-3-en-2-ol
Also Known As: 1-(2-nitroimidazol-1-yl)but-3-en-2-ol, 1-(2-hydroxy-3-buten-1-yl)-2-nitroimidazole, 1-(2-Nitro-1H-imidazol-1-yl)but-3-en-2-ol
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 88876-99-7 |
|---|---|
| SMILES | C=CC(CN1C=CN=C1[N+](=O)[O-])O |
| InChIKey | RSQHFAWCUVFKAD-UHFFFAOYSA-N |
Product Overview
1-(2-Nitroimidazol-1-yl)but-3-en-2-ol (CAS 88876-99-7), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 1-(2-nitroimidazol-1-yl)but-3-en-2-ol.
Chemical Property Profile of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol
Property Insights of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol. Following Lipinski's Rule of Five, 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol has 1 hydrogen bond donor(s) and 4 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 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol?
The CAS number of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol is 88876-99-7.
What is the molecular formula of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol?
The molecular formula of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol is C7H9N3O3.
What is the molecular weight of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol?
The molecular weight of 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol is 183.06 g/mol.
Where can I buy 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol?
You can request a quote for 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitroimidazol-1-yl)but-3-en-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.