CAS RN: 876509-14-7
3-CHLOROMETHYL-PYRROLIDINE
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.20250805 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS876509-14-7
- Purity/Analytical Methods: >99.0%
876509-14-7 / 3-(chloromethyl)pyrrolidine
Basic Information
CAS
876509-14-7
Multi CAS
Yes
Molecular Formula
C5H10CLN
Molecular Weight
119.590000
Exact Mass
119.050177
InChI
InChI=1S/C5H10ClN/c6-3-5-1-2-7-4-5/h5,7H,1-4H2
InChIKey
QXZOZPKSATVTCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.7
TPSA
12.03
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-2.86
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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