硝酸甲酯
TL;DR: 硝酸甲酯 (CAS 598-58-3) is a chemical compound with molecular formula CH3NO3 and molecular weight 77.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸甲酯
methyl nitrate
Also Known As: METHYL NITRATE, nitric acid methyl ester, methylnitrate, Nitrooxymethane, Nitric acid, methyl ester
| Molecular Formula | CH3NO3 |
|---|---|
| Molecular Weight | 77.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 77.01129 |
| Heavy Atoms | 5 |
| Complexity | 36.0 |
| Melting Point | -83 °C |
| Density | 1.208 @ 20°C |
| Vapor Pressure | 180.0 [mmHg] |
Chemical Identifiers
| CAS Number | 598-58-3 |
|---|---|
| SMILES | CO[N+](=O)[O-] |
| InChIKey | LRMHVVPPGGOAJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸甲酯 (CAS 598-58-3), with molecular formula CH3NO3 and molecular weight 77.01 g/mol. IUPAC: methyl nitrate.
Chemical Property Profile of 硝酸甲酯
Property Insights of 硝酸甲酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸甲酯. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸甲酯 has 0 hydrogen bond donor(s) and 3 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 硝酸甲酯?
The CAS number of 硝酸甲酯 is 598-58-3.
What is the molecular formula of 硝酸甲酯?
The molecular formula of 硝酸甲酯 is CH3NO3.
What is the molecular weight of 硝酸甲酯?
The molecular weight of 硝酸甲酯 is 77.01 g/mol.
Where can I buy 硝酸甲酯?
You can request a quote for 硝酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.