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CAS 3608-70-6 1-ethyl-3-chloro-pyrrolidine molecular structure lightbox
CAS RN: 3608-70-6

1-ethyl-3-chloro-pyrrolidine

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 100g In stock Shanghai Inquiry
Batchno.20250525 10g In stock Shanghai Inquiry
Batchno.20250807 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260119 250mg In stock Shanghai Inquiry
Batchno.20250413 25g In stock Shanghai Inquiry
Batchno.20250403 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS3608-70-6
  • Purity/Analytical Methods: >99.0%
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3608-70-6 / 3-chloro-1-ethylpyrrolidine

Standard CAS: 3608-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3608-70-6
Multi CAS
No
Molecular Formula
C6H12CLN
Molecular Weight
133.620000
Exact Mass
133.065827
InChI
InChI=1S/C6H12ClN/c1-2-8-4-3-6(7)5-8/h6H,2-5H2,1H3
InChIKey
WDBPDIQNBCWYOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.37
TPSA
3.24

LogP / Solubility

WLOGP
1.32
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.61
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)
-2.6

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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