Methanediol, 1,1-dinitrate
TL;DR: Methanediol, 1,1-dinitrate (CAS 38483-28-2) is a chemical compound with molecular formula CH2N2O6 and molecular weight 137.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nitrooxymethyl nitrate
Also Known As: Nitrooxymethyl nitrate, methonitrate, Methylene dinitrate, Methanediol dinitrate, Methanediol=dinitrate
| Molecular Formula | CH2N2O6 |
|---|---|
| Molecular Weight | 137.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.99129 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 38483-28-2 |
|---|---|
| SMILES | C(O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | MKQRTTJKPCAWRP-UHFFFAOYSA-N |
Product Overview
Methanediol, 1,1-dinitrate (CAS 38483-28-2), with molecular formula CH2N2O6 and molecular weight 137.99 g/mol. IUPAC: nitrooxymethyl nitrate.
Chemical Property Profile of Methanediol, 1,1-dinitrate
Property Insights of Methanediol, 1,1-dinitrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanediol, 1,1-dinitrate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanediol, 1,1-dinitrate. Following Lipinski's Rule of Five, Methanediol, 1,1-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 Methanediol, 1,1-dinitrate?
The CAS number of Methanediol, 1,1-dinitrate is 38483-28-2.
What is the molecular formula of Methanediol, 1,1-dinitrate?
The molecular formula of Methanediol, 1,1-dinitrate is CH2N2O6.
What is the molecular weight of Methanediol, 1,1-dinitrate?
The molecular weight of Methanediol, 1,1-dinitrate is 137.99 g/mol.
Where can I buy Methanediol, 1,1-dinitrate?
You can request a quote for Methanediol, 1,1-dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanediol, 1,1-dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Methanediol, 1,1-dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.