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CAS 39743-20-9 1-(3-CHLOROPROPYL)-PYRROLIDINE molecular structure lightbox
CAS RN: 39743-20-9

1-(3-CHLOROPROPYL)-PYRROLIDINE

  • Product code: SSC-147479
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39743-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

39743-20-9 / 1-(3-chloropropyl)pyrrolidine

Standard CAS: 39743-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39743-20-9
Multi CAS
Yes
Molecular Formula
C7H14CLN
Molecular Weight
147.640000
Exact Mass
147.081477
InChI
InChI=1S/C7H14ClN/c8-4-3-7-9-5-1-2-6-9/h1-7H2
InChIKey
SPRTXTPFQKHSBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
41.01
TPSA
3.24

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-2.41

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

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