甘油2-单硝酸酯
TL;DR: 甘油2-单硝酸酯 (CAS 620-12-2) is a chemical compound with molecular formula C3H7NO5 and molecular weight 137.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甘油2-单硝酸酯
1,3-dihydroxypropan-2-yl nitrate
Also Known As: Glycerol-2-nitrate, Glycerin 2-nitrate, 2-Mononitroglycerol, 2-Glyceryl mononitrate, Glycerol 2-mononitrate
| Molecular Formula | C3H7NO5 |
|---|---|
| Molecular Weight | 137.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 137.03242 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 620-12-2 |
|---|---|
| SMILES | C(C(CO)O[N+](=O)[O-])O |
| InChIKey | QYZBMMOLPVKAPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甘油2-单硝酸酯 (CAS 620-12-2), with molecular formula C3H7NO5 and molecular weight 137.03 g/mol. IUPAC: 1,3-dihydroxypropan-2-yl nitrate.
Chemical Property Profile of 甘油2-单硝酸酯
Property Insights of 甘油2-单硝酸酯
The XLogP value of -0.8 indicates that 甘油2-单硝酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 甘油2-单硝酸酯. Following Lipinski's Rule of Five, 甘油2-单硝酸酯 has 2 hydrogen bond donor(s) and 5 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 甘油2-单硝酸酯?
The CAS number of 甘油2-单硝酸酯 is 620-12-2.
What is the molecular formula of 甘油2-单硝酸酯?
The molecular formula of 甘油2-单硝酸酯 is C3H7NO5.
What is the molecular weight of 甘油2-单硝酸酯?
The molecular weight of 甘油2-单硝酸酯 is 137.03 g/mol.
Where can I buy 甘油2-单硝酸酯?
You can request a quote for 甘油2-单硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甘油2-单硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甘油2-单硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.