CAS RN: 188719-92-8
Bio-Farma Bf034349
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS188719-92-8
- Purity/Analytical Methods: >99.0%
188719-92-8 / N'-hydroxy-4-methylpentanimidamide
Basic Information
CAS
188719-92-8
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
SMILES
CC(C)CC/C(=N/O)/N
InChI
InChI=1S/C6H14N2O/c1-5(2)3-4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)
InChIKey
CZLARMYIQLINDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.48
TPSA
58.61
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-2.68
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
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