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CAS RN: 1353989-43-1
1-(3-BroMo-pyrrolidin-1-yl)-ethanone
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.20260508 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353989-43-1
- Purity/Analytical Methods: >99.0%
1353989-43-1 / 1-(3-bromopyrrolidin-1-yl)ethanone
Basic Information
CAS
1353989-43-1
Multi CAS
No
Molecular Formula
C6H10BrNO
Molecular Weight
192.050000
Exact Mass
190.994580
SMILES
CC(=O)N1CCC(C1)Br
InChI
InChI=1S/C6H10BrNO/c1-5(9)8-3-2-6(7)4-8/h6H,2-4H2,1H3
InChIKey
PWZFFFSSNKQIFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
39.59
TPSA
20.31
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.18
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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