甘油-1,2-二硝酸酯
TL;DR: 甘油-1,2-二硝酸酯 (CAS 621-65-8) is a chemical compound with molecular formula C3H6N2O7 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甘油-1,2-二硝酸酯
(1-hydroxy-3-nitrooxypropan-2-yl) nitrate
Also Known As: 1,2-Dinitroglycerin, Dinitroglycerol, 1,2-Dinitroglycerol, Glycerol dinitrate, Glyceryl 1,2-dinitrate
| Molecular Formula | C3H6N2O7 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0175 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 621-65-8 |
|---|---|
| SMILES | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O |
| InChIKey | GFVHBTOOPNJKLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甘油-1,2-二硝酸酯 (CAS 621-65-8), with molecular formula C3H6N2O7 and molecular weight 182.02 g/mol. IUPAC: (1-hydroxy-3-nitrooxypropan-2-yl) nitrate.
Chemical Property Profile of 甘油-1,2-二硝酸酯
Property Insights of 甘油-1,2-二硝酸酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甘油-1,2-二硝酸酯. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甘油-1,2-二硝酸酯. Following Lipinski's Rule of Five, 甘油-1,2-二硝酸酯 has 1 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 甘油-1,2-二硝酸酯?
The CAS number of 甘油-1,2-二硝酸酯 is 621-65-8.
What is the molecular formula of 甘油-1,2-二硝酸酯?
The molecular formula of 甘油-1,2-二硝酸酯 is C3H6N2O7.
What is the molecular weight of 甘油-1,2-二硝酸酯?
The molecular weight of 甘油-1,2-二硝酸酯 is 182.02 g/mol.
Where can I buy 甘油-1,2-二硝酸酯?
You can request a quote for 甘油-1,2-二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甘油-1,2-二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甘油-1,2-二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.