Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
89283-73-8 / potassium (Z)-2,3-dicyanoprop-1-en-1-olate
Basic Information
CAS
89283-73-8
Multi CAS
Yes
Molecular Formula
C5H3KN2O
Molecular Weight
146.190000
Exact Mass
145.988244
InChI
InChI=1S/C5H4N2O.K/c6-2-1-5(3-7)4-8;/h4,8H,1H2;/q;+1/p-1/b5-4-;
InChIKey
KDIFOFDRTJDTPV-MKWAYWHRSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
23.93
TPSA
70.64
LogP / Solubility
WLOGP
-3.33
MLOGP
-2.94
XLogP3
-3.33
Consensus LogP
-3.2
Log S (ESOL)
1.42
Class (ESOL)
Highly soluble
Log S (Ali)
1.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.03
Class (SILICOS-IT)
Highly 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)
-5.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
