trans-Oxolane-3,4-diol dinitrate
TL;DR: trans-Oxolane-3,4-diol dinitrate (CAS 58690-46-3) is a chemical compound with molecular formula C4H6N2O7 and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrooxyoxolan-3-yl) nitrate
Also Known As: trans-Oxolane-3,4-diol dinitrate, cis-Oxolane-3,4-diol dinitrate, Oxolane-3,4-diyl dinitrate, NUPHETKTSSIAEZ-UHFFFAOYSA-, (4-nitrooxyoxolan-3-yl) nitrate
| Molecular Formula | C4H6N2O7 |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0175 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 58690-46-3 |
|---|---|
| SMILES | C1C(C(CO1)O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | NUPHETKTSSIAEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-Oxolane-3,4-diol dinitrate (CAS 58690-46-3), with molecular formula C4H6N2O7 and molecular weight 194.02 g/mol. IUPAC: (4-nitrooxyoxolan-3-yl) nitrate.
Chemical Property Profile of trans-Oxolane-3,4-diol dinitrate
Property Insights of trans-Oxolane-3,4-diol dinitrate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Oxolane-3,4-diol dinitrate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-Oxolane-3,4-diol dinitrate. Following Lipinski's Rule of Five, trans-Oxolane-3,4-diol dinitrate 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 trans-Oxolane-3,4-diol dinitrate?
The CAS number of trans-Oxolane-3,4-diol dinitrate is 58690-46-3.
What is the molecular formula of trans-Oxolane-3,4-diol dinitrate?
The molecular formula of trans-Oxolane-3,4-diol dinitrate is C4H6N2O7.
What is the molecular weight of trans-Oxolane-3,4-diol dinitrate?
The molecular weight of trans-Oxolane-3,4-diol dinitrate is 194.02 g/mol.
Where can I buy trans-Oxolane-3,4-diol dinitrate?
You can request a quote for trans-Oxolane-3,4-diol dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Oxolane-3,4-diol dinitrate?
Yes, KEHONG BIO provides custom synthesis services for trans-Oxolane-3,4-diol dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.