4,5-呋咱二甲醇二硝酸酯
TL;DR: 4,5-呋咱二甲醇二硝酸酯 (CAS 57449-43-1) is a chemical compound with molecular formula C4H4N4O7 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-呋咱二甲醇二硝酸酯
[4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate
Also Known As: 4,5-Furazandimethanol dinitrate, 3,4-bis-nitrooxymethyl-furazan, Furazandimethanol dinitrate(ester), [4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate, (1,2,5-Oxadiazole-3,4-diyl)bis(methylene) dinitrate
| Molecular Formula | C4H4N4O7 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.008 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 57449-43-1 |
|---|---|
| SMILES | C(C1=NON=C1CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | FELQBVPTAWJQAO-UHFFFAOYSA-N |
Product Overview
4,5-呋咱二甲醇二硝酸酯 (CAS 57449-43-1), with molecular formula C4H4N4O7 and molecular weight 220.01 g/mol. IUPAC: [4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate.
Chemical Property Profile of 4,5-呋咱二甲醇二硝酸酯
Property Insights of 4,5-呋咱二甲醇二硝酸酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-呋咱二甲醇二硝酸酯. The TPSA of 149.0 Ų indicates high polarity, suggesting 4,5-呋咱二甲醇二硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-呋咱二甲醇二硝酸酯 has 0 hydrogen bond donor(s) and 9 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 4,5-呋咱二甲醇二硝酸酯?
The CAS number of 4,5-呋咱二甲醇二硝酸酯 is 57449-43-1.
What is the molecular formula of 4,5-呋咱二甲醇二硝酸酯?
The molecular formula of 4,5-呋咱二甲醇二硝酸酯 is C4H4N4O7.
What is the molecular weight of 4,5-呋咱二甲醇二硝酸酯?
The molecular weight of 4,5-呋咱二甲醇二硝酸酯 is 220.01 g/mol.
Where can I buy 4,5-呋咱二甲醇二硝酸酯?
You can request a quote for 4,5-呋咱二甲醇二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-呋咱二甲醇二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4,5-呋咱二甲醇二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.