CAS RN: 87-33-2
Isosorbide dinitrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260527 | 5mg / 25mg / 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS87-33-2
- Purity/Analytical Methods: >99.0%
87-33-2 / (6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) nitrate
Basic Information
CAS
87-33-2
Multi CAS
Yes
Molecular Formula
C6H8N2O8
Molecular Weight
236.140000
Exact Mass
236.028065
InChI
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2
InChIKey
MOYKHGMNXAOIAT-UHFFFAOYSA-N
Physical Properties
Physical Description
Isosorbide dinitrate mixture appears as a crystalline solid. May be toxic by ingestion. Used to make pharmaceuticals. Used as a heart drug.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
43.21
TPSA
123.2
LogP / Solubility
WLOGP
-1.06
MLOGP
-0.93
XLogP3
1.3
Consensus LogP
-0.23
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
