CAS RN: 85834-37-3
N-(3-Chloro-2-hydroxypropyl)succinimide
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.20251029 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS85834-37-3
- Purity/Analytical Methods: >99.0%
85834-37-3 / 1-(3-chloro-2-hydroxypropyl)pyrrolidine-2,5-dione
Basic Information
CAS
85834-37-3
Multi CAS
No
Molecular Formula
C7H10CLNO3
Molecular Weight
191.610000
Exact Mass
191.034921
InChI
InChI=1S/C7H10ClNO3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h5,10H,1-4H2
InChIKey
FBGLUAUJNCRLIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.68
TPSA
57.61
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
-0.9
Consensus LogP
-0.46
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-4.08
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
2
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