Butene-1,2-diol, dinitrate
TL;DR: Butene-1,2-diol, dinitrate (CAS 34376-90-4) is a chemical compound with molecular formula C4H6N2O6 and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-1-nitrooxybut-1-en-2-yl] nitrate
Also Known As: Butene-1,2-diol, dinitrate, [(Z)-1-nitrooxybut-1-en-2-yl] nitrate
| Molecular Formula | C4H6N2O6 |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 0.6544 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.02258 |
| Heavy Atoms | 12 |
| Complexity | 211.59363 |
Chemical Identifiers
| CAS Number | 34376-90-4 |
|---|---|
| SMILES | CC/C(=C/O[N+](=O)[O-])/O[N+](=O)[O-] |
Product Overview
Butene-1,2-diol, dinitrate (CAS 34376-90-4), with molecular formula C4H6N2O6 and molecular weight 178.02 g/mol. IUPAC: [(Z)-1-nitrooxybut-1-en-2-yl] nitrate.
Chemical Property Profile of Butene-1,2-diol, dinitrate
Property Insights of Butene-1,2-diol, dinitrate
The XLogP value of 0.6544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butene-1,2-diol, dinitrate. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Butene-1,2-diol, dinitrate. Following Lipinski's Rule of Five, Butene-1,2-diol, dinitrate 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 Butene-1,2-diol, dinitrate?
The CAS number of Butene-1,2-diol, dinitrate is 34376-90-4.
What is the molecular formula of Butene-1,2-diol, dinitrate?
The molecular formula of Butene-1,2-diol, dinitrate is C4H6N2O6.
What is the molecular weight of Butene-1,2-diol, dinitrate?
The molecular weight of Butene-1,2-diol, dinitrate is 178.02 g/mol.
Where can I buy Butene-1,2-diol, dinitrate?
You can request a quote for Butene-1,2-diol, dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butene-1,2-diol, dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Butene-1,2-diol, dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.