3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate
TL;DR: 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate (CAS 68160-69-0) is a chemical compound with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(2-nitroimidazol-1-yl)propyl] acetate
Also Known As: J1.556.376A, [2-acetyloxy-3-(2-nitroimidazol-1-yl)propyl] acetate, 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate, 3-(2-Nitro-1H-imidazole-1-yl)-1,2-propanediol diacetate, 1-(acetyloxy)-3-(2-nitro-1H-imidazol-1-yl)propan-2-yl acetate
| Molecular Formula | C10H13N3O6 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.08044 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 68160-69-0 |
|---|---|
| SMILES | CC(=O)OCC(CN1C=CN=C1[N+](=O)[O-])OC(=O)C |
| InChIKey | OYLSYZAXLKINGQ-UHFFFAOYSA-N |
Product Overview
3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate (CAS 68160-69-0), with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol. IUPAC: [2-acetyloxy-3-(2-nitroimidazol-1-yl)propyl] acetate.
Chemical Property Profile of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate
Property Insights of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate. Following Lipinski's Rule of Five, 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate has 0 hydrogen bond donor(s) and 7 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 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate?
The CAS number of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate is 68160-69-0.
What is the molecular formula of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate?
The molecular formula of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate is C10H13N3O6.
What is the molecular weight of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate?
The molecular weight of 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate is 271.08 g/mol.
Where can I buy 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate?
You can request a quote for 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.