CAS RN: 684-88-8
N-hydroxyisobutyrimidoyl chloride
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.20260510 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS684-88-8
- Purity/Analytical Methods: >99.0%
684-88-8 / (1Z)-N-hydroxy-2-methylpropanimidoyl chloride
Basic Information
CAS
684-88-8
Multi CAS
Yes
Molecular Formula
C4H8CLNO
Molecular Weight
121.560000
Exact Mass
121.029442
InChI
InChI=1S/C4H8ClNO/c1-3(2)4(5)6-7/h3,7H,1-2H3/b6-4-
InChIKey
JNDGHLLVJGENOC-XQRVVYSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.91
TPSA
32.59
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
2.1
Consensus LogP
1.74
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.28
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
