CAS RN: 2287283-91-2
1-(2-bromoethyl)-3,3-difluoropyrrolidine hydrobromide
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.20250415 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2287283-91-2
- Purity/Analytical Methods: >99.0%
2287283-91-2 / 1-(2-bromoethyl)-3,3-difluoropyrrolidine;hydrobromide
Basic Information
CAS
2287283-91-2
Multi CAS
No
Molecular Formula
C6H11Br2F2N
Molecular Weight
294.960000
Exact Mass
294.920580
SMILES
C1CN(CC1(F)F)CCBr.Br
InChI
InChI=1S/C6H10BrF2N.BrH/c7-2-4-10-3-1-6(8,9)5-10;/h1-5H2;1H
InChIKey
QBPNMJCCGYONGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.12
TPSA
3.24
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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