![ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate structure](/static/products/5586/55864-85-2.webp)
ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate
TL;DR: ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate (CAS 55864-85-2) is a chemical compound with molecular formula C17H21N3O11 and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-5-carboxylate
Also Known As: ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate, Ethyl 4-nitro-1-(2,3,5-tri-O-acetylpentofuranosyl)-1H-pyrazole-5-carboxylate
| Molecular Formula | C17H21N3O11 |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 443.1176 |
| Heavy Atoms | 31 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 55864-85-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NN1C2C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)[N+](=O)[O-] |
| InChIKey | DDJIQUDESRUYJL-UHFFFAOYSA-N |
Product Overview
ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate (CAS 55864-85-2), with molecular formula C17H21N3O11 and molecular weight 443.12 g/mol. IUPAC: ethyl 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-5-carboxylate.
Chemical Property Profile of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate
Property Insights of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate. The TPSA of 178.0 Ų indicates high polarity, suggesting ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate?
The CAS number of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate is 55864-85-2.
What is the molecular formula of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate?
The molecular formula of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate is C17H21N3O11.
What is the molecular weight of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate?
The molecular weight of ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate is 443.12 g/mol.
Where can I buy ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate?
You can request a quote for ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.