甲二醇-1,1-二硝酸酯
TL;DR: 甲二醇-1,1-二硝酸酯 (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.
甲二醇-1,1-二硝酸酯
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
甲二醇-1,1-二硝酸酯 (CAS 38483-28-2), with molecular formula CH2N2O6 and molecular weight 137.99 g/mol. IUPAC: nitrooxymethyl nitrate.
Chemical Property Profile of 甲二醇-1,1-二硝酸酯
Property Insights of 甲二醇-1,1-二硝酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲二醇-1,1-二硝酸酯. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲二醇-1,1-二硝酸酯. Following Lipinski's Rule of Five, 甲二醇-1,1-二硝酸酯 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 甲二醇-1,1-二硝酸酯?
The CAS number of 甲二醇-1,1-二硝酸酯 is 38483-28-2.
What is the molecular formula of 甲二醇-1,1-二硝酸酯?
The molecular formula of 甲二醇-1,1-二硝酸酯 is CH2N2O6.
What is the molecular weight of 甲二醇-1,1-二硝酸酯?
The molecular weight of 甲二醇-1,1-二硝酸酯 is 137.99 g/mol.
Where can I buy 甲二醇-1,1-二硝酸酯?
You can request a quote for 甲二醇-1,1-二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲二醇-1,1-二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甲二醇-1,1-二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.