1-硝酸氧基丁-2-基硝酸酯
TL;DR: 1-硝酸氧基丁-2-基硝酸酯 (CAS 20820-41-1) is a chemical compound with molecular formula C4H8N2O6 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-硝酸氧基丁-2-基硝酸酯
1-nitrooxybutan-2-yl nitrate
Also Known As: 1-nitrooxybutan-2-yl Nitrate, butane-1,2-diyl dinitrate, 1,2-Butanediol dinitrate, 1,2-butandiol dinitrate, 1-nitrooxybutan-2-ylnitrate
| Molecular Formula | C4H8N2O6 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.03824 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 20820-41-1 |
|---|---|
| SMILES | CCC(CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | CTISQZXTUUHJNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-硝酸氧基丁-2-基硝酸酯 (CAS 20820-41-1), with molecular formula C4H8N2O6 and molecular weight 180.04 g/mol. IUPAC: 1-nitrooxybutan-2-yl nitrate.
Chemical Property Profile of 1-硝酸氧基丁-2-基硝酸酯
Property Insights of 1-硝酸氧基丁-2-基硝酸酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-硝酸氧基丁-2-基硝酸酯. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-硝酸氧基丁-2-基硝酸酯. Following Lipinski's Rule of Five, 1-硝酸氧基丁-2-基硝酸酯 has 0 hydrogen bond donor(s) and 6 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-硝酸氧基丁-2-基硝酸酯?
The CAS number of 1-硝酸氧基丁-2-基硝酸酯 is 20820-41-1.
What is the molecular formula of 1-硝酸氧基丁-2-基硝酸酯?
The molecular formula of 1-硝酸氧基丁-2-基硝酸酯 is C4H8N2O6.
What is the molecular weight of 1-硝酸氧基丁-2-基硝酸酯?
The molecular weight of 1-硝酸氧基丁-2-基硝酸酯 is 180.04 g/mol.
Where can I buy 1-硝酸氧基丁-2-基硝酸酯?
You can request a quote for 1-硝酸氧基丁-2-基硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-硝酸氧基丁-2-基硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-硝酸氧基丁-2-基硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.