CAS RN: 3699-18-1
2,6-Piperidinedione, 1-broMo-
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.20251103 | 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS3699-18-1
- Purity/Analytical Methods: >99.0%
3699-18-1 / 1-bromopiperidine-2,6-dione
Basic Information
CAS
3699-18-1
Multi CAS
No
Molecular Formula
BC5H6O2Rn
Molecular Weight
192.010000
Exact Mass
190.958190
InChI
InChI=1S/C5H6BrNO2/c6-7-4(8)2-1-3-5(7)9/h1-3H2
InChIKey
ZJEQUGWMBSKCCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
34.63
TPSA
37.38
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.3
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
