硝酸异山梨酯
TL;DR: 硝酸异山梨酯 (CAS 87-33-2) is a chemical compound with molecular formula C6H8N2O8 and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸异山梨酯
(6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) nitrate
Also Known As: ISOSORBIDE DINITRATE, Dinitrosorbide, Sorbidinitrate, Sorbidnitrate, Corosorbide
| Molecular Formula | C6H8N2O8 |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02806 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 87-33-2 |
|---|---|
| SMILES | C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | MOYKHGMNXAOIAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸异山梨酯 (CAS 87-33-2), with molecular formula C6H8N2O8 and molecular weight 236.03 g/mol. IUPAC: (6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) nitrate.
Chemical Property Profile of 硝酸异山梨酯
Property Insights of 硝酸异山梨酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸异山梨酯. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝酸异山梨酯. Following Lipinski's Rule of Five, 硝酸异山梨酯 has 0 hydrogen bond donor(s) and 8 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 硝酸异山梨酯?
The CAS number of 硝酸异山梨酯 is 87-33-2.
What is the molecular formula of 硝酸异山梨酯?
The molecular formula of 硝酸异山梨酯 is C6H8N2O8.
What is the molecular weight of 硝酸异山梨酯?
The molecular weight of 硝酸异山梨酯 is 236.03 g/mol.
Where can I buy 硝酸异山梨酯?
You can request a quote for 硝酸异山梨酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸异山梨酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸异山梨酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.