CAS RN: 6964-53-0
NSC 66686
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6964-53-0
- Purity/Analytical Methods: >99.0%
6964-53-0 / 1-methylpyridin-2-imine;hydroiodide
Basic Information
CAS
6964-53-0
Multi CAS
Yes
Molecular Formula
C6H9In2
Molecular Weight
236.050000
Exact Mass
235.981050
InChI
InChI=1S/C6H8N2.HI/c1-8-5-3-2-4-6(8)7;/h2-5,7H,1H3;1H
InChIKey
FWASAFYSUHLJKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.68
TPSA
28.78
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
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
1.5
Customers Also Viewed
-
5-(2-ethoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- CAS RN: 6964-70-1
- Product Code: SSC-179356
-
-
-
-
-
NSC 18751
- CAS RN: 6966-21-8
- Product Code: starshine_CAS6966-21-8
- Purity/Analytical method: >99.0%
